4-[1-azanyl-1-oxidanylidene-3-(5-phenylmethoxy-2-piperidin-1-yl-phenyl)butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-3-(5-phenylmethoxy-2-piperidin-1-yl-phenyl)butan-2-yl]benzoic acid Openeye Name: 4-[2-[5-benzyloxy-2-(1-piperidyl)phenyl]-1-carbamoyl-propyl]benzoic acid CAS Name: 4-[1-amino-1-oxo-3-[5-phenylmethoxy-2-(1-piperidinyl)phenyl]butan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-1-oxo-3-(5-phenylmethoxy-2-piperidin-1-ylphenyl)butan-2-yl]benzoic acid Traditional Name: 4-[2-(5-benzoxy-2-piperidino-phenyl)-1-carbamoyl-propyl]benzoic acid Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OCC2=CC=CC=C2)N3CCCCC3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=C(C=CC(=C1)OCC2=CC=CC=C2)N3CCCCC3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C29H32N2O4/c1-20(27(28(30)32)22-10-12-23(13-11-22)29(33)34)25-18-24(35-19-21-8-4-2-5-9-21)14-15-26(25)31-16-6-3-7-17-31/h2,4-5,8-15,18,20,27H,3,6-7,16-17,19H2,1H3,(H2,30,32)(H,33,34)