2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-5-(propanoylamino)benzoic acid

Systemtic Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-5-propionamido-benzoic acid Formula: C27H28ClN3O3 MolecularWeight: 477.98252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C27H28ClN3O3/c1-2-25(32)29-22-12-13-24(23(18-22)27(33)34)30-14-16-31(17-15-30)26(19-6-4-3-5-7-19)20-8-10-21(28)11-9-20/h3-13,18,26H,2,14-17H2,1H3,(H,29,32)(H,33,34)