1-[4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenyl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[4-[4-[2-(phenylmethyl)-1-benzofuran-3-yl]phenyl]phenyl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]benzoyl]piperidine-3-carboxylic acid CAS Name: 1-[oxo-[4-[4-[2-(phenylmethyl)-3-benzofuranyl]phenyl]phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]benzoyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-[4-(2-benzylbenzofuran-3-yl)phenyl]benzoyl]nipecotic acid Formula: C34H29NO4 MolecularWeight: 515.59836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)CC6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)CC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C34H29NO4/c36-33(35-20-6-9-28(22-35)34(37)38)27-18-14-25(15-19-27)24-12-16-26(17-13-24)32-29-10-4-5-11-30(29)39-31(32)21-23-7-2-1-3-8-23/h1-5,7-8,10-19,28H,6,9,20-22H2,(H,37,38)