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

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-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-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-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-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)OCC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C23H31N3O4/c24-23(29)19-11-15-26(16-12-19)21(27)17-30-22(28)10-7-18-5-8-20(9-6-18)25-13-3-1-2-4-14-25/h5-10,19H,1-4,11-17H2,(H2,24,29)/b10-7+