4-(5-{[(1S)-6,7-dimethoxy-8-[(7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}-2-methoxyphenoxy)benzaldehyde

AlkaPlorer ID: AK178738

Synonym: None

IUPAC Name: 4-[5-[[(1S)-6,7-dimethoxy-8-[(7-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]benzaldehyde

Structure

SMILES: COC1=CC=C(C[C@H]2C3=C(C=C(OC)C(OC)=C3OC3=CC4=C(C=C3OC)C(=O)N(C)CC4)CCN2C)C=C1OC1=CC=C(C=O)C=C1

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InChI: InChI=1S/C38H40N2O8/c1-39-15-14-26-20-34(45-5)36(46-6)37(48-33-19-25-13-16-40(2)38(42)28(25)21-31(33)44-4)35(26)29(39)17-24-9-12-30(43-3)32(18-24)47-27-10-7-23(22-41)8-11-27/h7-12,18-22,29H,13-17H2,1-6H3/t29-/m0/s1

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InChIKey: BMVOQTPJOGEVSX-LJAQVGFWSA-N

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Source

Properties Information

Molecule Weight: 652.7440000000004

TPSA: 96.0

MolLogP: 6.517900000000008

Number of H-Donors: 0

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information