4-[2-oxidanylidene-2-[[3-phenyl-1-(2-piperidin-1-ylphenyl)propyl]amino]ethyl]benzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-[[3-phenyl-1-(2-piperidin-1-ylphenyl)propyl]amino]ethyl]benzoic acid Openeye Name: 4-[2-oxo-2-[[3-phenyl-1-[2-(1-piperidyl)phenyl]propyl]amino]ethyl]benzoic acid CAS Name: 4-[2-oxo-2-[[3-phenyl-1-[2-(1-piperidinyl)phenyl]propyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-oxo-2-[[3-phenyl-1-(2-piperidin-1-ylphenyl)propyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-keto-2-[[3-phenyl-1-(2-piperidinophenyl)propyl]amino]ethyl]benzoic acid Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2C(CCC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2C(CCC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C29H32N2O3/c32-28(21-23-13-16-24(17-14-23)29(33)34)30-26(18-15-22-9-3-1-4-10-22)25-11-5-6-12-27(25)31-19-7-2-8-20-31/h1,3-6,9-14,16-17,26H,2,7-8,15,18-21H2,(H,30,32)(H,33,34)