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

Systemtic Name: 2-[[3-(4-chlorophenyl)-3-phenyl-2-piperazin-1-yl-propanoyl]amino]-3-naphthalen-1-yl-propanoic acid Openeye Name: 2-[[3-(4-chlorophenyl)-3-phenyl-2-piperazin-1-yl-propanoyl]amino]-3-(1-naphthyl)propanoic acid CAS Name: 2-[[3-(4-chlorophenyl)-1-oxo-3-phenyl-2-(1-piperazinyl)propyl]amino]-3-(1-naphthalenyl)propanoic acid IUPAC Name: 2-[[3-(4-chlorophenyl)-3-phenyl-2-piperazin-1-ylpropanoyl]amino]-3-naphthalen-1-ylpropanoic acid Traditional Name: 2-[[3-(4-chlorophenyl)-3-phenyl-2-piperazino-propanoyl]amino]-3-(1-naphthyl)propionic acid Formula: C32H32ClN3O3 MolecularWeight: 542.06778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)NC(CC4=CC=CC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CN(CCN1)C(C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)NC(CC4=CC=CC5=CC=CC=C54)C(=O)O

InChI

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