2-[[5-chloranyl-2-(piperidin-4-ylmethylamino)phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[5-chloranyl-2-(piperidin-4-ylmethylamino)phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[5-chloro-2-(4-piperidylmethylamino)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[5-chloro-2-(4-piperidinylmethylamino)phenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[5-chloro-2-(piperidin-4-ylmethylamino)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[5-chloro-2-(4-piperidylmethylamino)benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC2=C(C=C(C=C2)Cl)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CNCCC1CNC2=C(C=C(C=C2)Cl)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H30ClN3O3/c29-23-10-11-25(31-18-20-12-14-30-15-13-20)24(17-23)27(33)32-26(28(34)35)16-19-6-8-22(9-7-19)21-4-2-1-3-5-21/h1-11,17,20,26,30-31H,12-16,18H2,(H,32,33)(H,34,35)