2-[[(4-chlorophenyl)-phenyl-methyl]-(2-piperazin-1-ylethanoyl)amino]-3-naphthalen-1-yl-propanoic acid

Systemtic Name: 2-[[(4-chlorophenyl)-phenyl-methyl]-(2-piperazin-1-ylethanoyl)amino]-3-naphthalen-1-yl-propanoic acid Openeye Name: 2-[[(4-chlorophenyl)-phenyl-methyl]-(2-piperazin-1-ylacetyl)amino]-3-(1-naphthyl)propanoic acid CAS Name: 2-[[(4-chlorophenyl)-phenylmethyl]-[1-oxo-2-(1-piperazinyl)ethyl]amino]-3-(1-naphthalenyl)propanoic acid IUPAC Name: 2-[[(4-chlorophenyl)-phenylmethyl]-(2-piperazin-1-ylacetyl)amino]-3-naphthalen-1-ylpropanoic acid Traditional Name: 2-[[(4-chlorophenyl)-phenyl-methyl]-(2-piperazinoacetyl)amino]-3-(1-naphthyl)propionic acid Formula: C32H32ClN3O3 MolecularWeight: 542.06778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(=O)N(C(CC2=CC=CC3=CC=CC=C32)C(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1)CC(=O)N(C(CC2=CC=CC3=CC=CC=C32)C(=O)O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C32H32ClN3O3/c33-27-15-13-25(14-16-27)31(24-8-2-1-3-9-24)36(30(37)22-35-19-17-34-18-20-35)29(32(38)39)21-26-11-6-10-23-7-4-5-12-28(23)26/h1-16,29,31,34H,17-22H2,(H,38,39)