4-[(E)-1-azanyl-1-oxidanylidene-5-phenyl-3-(2-piperidin-1-ylphenyl)pent-3-en-2-yl]benzoic acid

Systemtic Name: 4-[(E)-1-azanyl-1-oxidanylidene-5-phenyl-3-(2-piperidin-1-ylphenyl)pent-3-en-2-yl]benzoic acid Openeye Name: 4-[(E)-1-carbamoyl-4-phenyl-2-[2-(1-piperidyl)phenyl]but-2-enyl]benzoic acid CAS Name: 4-[(E)-1-amino-1-oxo-5-phenyl-3-[2-(1-piperidinyl)phenyl]pent-3-en-2-yl]benzoic acid IUPAC Name: 4-[(E)-1-amino-1-oxo-5-phenyl-3-(2-piperidin-1-ylphenyl)pent-3-en-2-yl]benzoic acid Traditional Name: 4-[(E)-1-carbamoyl-4-phenyl-2-(2-piperidinophenyl)but-2-enyl]benzoic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2C(=CCC3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2/C(=C/CC3=CC=CC=C3)/C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C29H30N2O3/c30-28(32)27(22-14-16-23(17-15-22)29(33)34)25(18-13-21-9-3-1-4-10-21)24-11-5-6-12-26(24)31-19-7-2-8-20-31/h1,3-6,9-12,14-18,27H,2,7-8,13,19-20H2,(H2,30,32)(H,33,34)/b25-18-