ethyl 4-[(Z)-1-azanyl-1-oxidanylidene-5-phenyl-3-(2-piperidin-1-ylphenyl)pent-3-en-2-yl]benzoate

Systemtic Name: ethyl 4-[(Z)-1-azanyl-1-oxidanylidene-5-phenyl-3-(2-piperidin-1-ylphenyl)pent-3-en-2-yl]benzoate Openeye Name: ethyl 4-[(Z)-1-carbamoyl-4-phenyl-2-[2-(1-piperidyl)phenyl]but-2-enyl]benzoate CAS Name: 4-[(Z)-1-amino-1-oxo-5-phenyl-3-[2-(1-piperidinyl)phenyl]pent-3-en-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-1-amino-1-oxo-5-phenyl-3-(2-piperidin-1-ylphenyl)pent-3-en-2-yl]benzoate Traditional Name: 4-[(Z)-1-carbamoyl-4-phenyl-2-(2-piperidinophenyl)but-2-enyl]benzoic acid ethyl ester Formula: C31H34N2O3 MolecularWeight: 482.61326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C(=CCC2=CC=CC=C2)C3=CC=CC=C3N4CCCCC4)C(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(/C(=C/CC2=CC=CC=C2)/C3=CC=CC=C3N4CCCCC4)C(=O)N

InChI

InChI=1S/C31H34N2O3/c1-2-36-31(35)25-18-16-24(17-19-25)29(30(32)34)27(20-15-23-11-5-3-6-12-23)26-13-7-8-14-28(26)33-21-9-4-10-22-33/h3,5-8,11-14,16-20,29H,2,4,9-10,15,21-22H2,1H3,(H2,32,34)/b27-20+