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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC(=C2)CC(C(C3=CC=C(C=C3)C(=O)O)C(=O)N)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=CC=CC(=C2)CC(C(C3=CC=C(C=C3)C(=O)O)C(=O)N)OCC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O4/c30-28(32)27(23-12-14-24(15-13-23)29(33)34)26(35-20-21-8-3-1-4-9-21)19-22-10-7-11-25(18-22)31-16-5-2-6-17-31/h1,3-4,7-15,18,26-27H,2,5-6,16-17,19-20H2,(H2,30,32)(H,33,34)