[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C25H28N2O4/c1-19(28)26-22-11-9-21(10-12-22)24(29)18-31-25(30)15-8-20-6-13-23(14-7-20)27-16-4-2-3-5-17-27/h6-15H,2-5,16-18H2,1H3,(H,26,28)/b15-8+