4-[4-[[2-(2-chlorophenyl)ethyl-pentanoyl-amino]methyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[[2-(2-chlorophenyl)ethyl-pentanoyl-amino]methyl]phenyl]benzoic acid Openeye Name: 4-[4-[[2-(2-chlorophenyl)ethyl-pentanoyl-amino]methyl]phenyl]benzoic acid CAS Name: 4-[4-[[2-(2-chlorophenyl)ethyl-(1-oxopentyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 4-[4-[[2-(2-chlorophenyl)ethyl-pentanoylamino]methyl]phenyl]benzoic acid Traditional Name: 4-[4-[[2-(2-chlorophenyl)ethyl-valeryl-amino]methyl]phenyl]benzoic acid Formula: C27H28ClNO3 MolecularWeight: 449.96912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCC1=CC=CC=C1Cl)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CCC1=CC=CC=C1Cl)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H28ClNO3/c1-2-3-8-26(30)29(18-17-23-6-4-5-7-25(23)28)19-20-9-11-21(12-10-20)22-13-15-24(16-14-22)27(31)32/h4-7,9-16H,2-3,8,17-19H2,1H3,(H,31,32)