3-[3-[6-oxidanylidene-1-[4-(2-phenylethanoyl)phenyl]piperidin-2-yl]propyl]benzoic acid

Systemtic Name: 3-[3-[6-oxidanylidene-1-[4-(2-phenylethanoyl)phenyl]piperidin-2-yl]propyl]benzoic acid Openeye Name: 3-[3-[6-oxo-1-[4-(2-phenylacetyl)phenyl]-2-piperidyl]propyl]benzoic acid CAS Name: 3-[3-[6-oxo-1-[4-(1-oxo-2-phenylethyl)phenyl]-2-piperidinyl]propyl]benzoic acid IUPAC Name: 3-[3-[6-oxo-1-[4-(2-phenylacetyl)phenyl]piperidin-2-yl]propyl]benzoic acid Traditional Name: 3-[3-[6-keto-1-[4-(2-phenylacetyl)phenyl]-2-piperidyl]propyl]benzoic acid Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1)C2=CC=C(C=C2)C(=O)CC3=CC=CC=C3)CCCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CC(N(C(=O)C1)C2=CC=C(C=C2)C(=O)CC3=CC=CC=C3)CCCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C29H29NO4/c31-27(20-22-7-2-1-3-8-22)23-15-17-26(18-16-23)30-25(13-6-14-28(30)32)12-5-10-21-9-4-11-24(19-21)29(33)34/h1-4,7-9,11,15-19,25H,5-6,10,12-14,20H2,(H,33,34)