4-[(Z)-1-azanyl-1-oxidanylidene-4-phenyl-3-(2-piperidin-1-ylphenyl)but-3-en-2-yl]benzoic acid

Systemtic Name: 4-[(Z)-1-azanyl-1-oxidanylidene-4-phenyl-3-(2-piperidin-1-ylphenyl)but-3-en-2-yl]benzoic acid Openeye Name: 4-[(Z)-1-carbamoyl-3-phenyl-2-[2-(1-piperidyl)phenyl]allyl]benzoic acid CAS Name: 4-[(Z)-1-amino-1-oxo-4-phenyl-3-[2-(1-piperidinyl)phenyl]but-3-en-2-yl]benzoic acid IUPAC Name: 4-[(Z)-1-amino-1-oxo-4-phenyl-3-(2-piperidin-1-ylphenyl)but-3-en-2-yl]benzoic acid Traditional Name: 4-[(Z)-1-carbamoyl-3-phenyl-2-(2-piperidinophenyl)allyl]benzoic acid Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2C(=CC3=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\C3=CC=CC=C3)/C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C28H28N2O3/c29-27(31)26(21-13-15-22(16-14-21)28(32)33)24(19-20-9-3-1-4-10-20)23-11-5-6-12-25(23)30-17-7-2-8-18-30/h1,3-6,9-16,19,26H,2,7-8,17-18H2,(H2,29,31)(H,32,33)/b24-19+