4-[(1E)-2-({2-[4-(acetyloxy)phenyl]ethyl}carbamoyl)eth-1-en-1-yl]-2-methoxyphenyl acetate

AlkaPlorer ID: AK036488

Synonym: None

IUPAC Name: [4-[2-[3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoylamino]ethyl]phenyl] acetate

Structure

SMILES: COC1=CC(C=CC(O)=NCCC2=CC=C(OC(C)=O)C=C2)=CC=C1OC(C)=O

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InChI: InChI=1S/C22H23NO6/c1-15(24)28-19-8-4-17(5-9-19)12-13-23-22(26)11-7-18-6-10-20(29-16(2)25)21(14-18)27-3/h4-11,14H,12-13H2,1-3H3,(H,23,26)

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InChIKey: TWZYHKRHASAOIY-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 397.4270000000001

TPSA: 94.42000000000002

MolLogP: 3.758200000000003

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information