4-[4-[[(4-chlorophenyl)carbonyl-phenethyl-amino]methyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[[(4-chlorophenyl)carbonyl-phenethyl-amino]methyl]phenyl]benzoic acid Openeye Name: 4-[4-[[(4-chlorobenzoyl)-phenethyl-amino]methyl]phenyl]benzoic acid CAS Name: 4-[4-[[[(4-chlorophenyl)-oxomethyl]-phenethylamino]methyl]phenyl]benzoic acid IUPAC Name: 4-[4-[[(4-chlorobenzoyl)-phenethylamino]methyl]phenyl]benzoic acid Traditional Name: 4-[4-[[(4-chlorobenzoyl)-phenethyl-amino]methyl]phenyl]benzoic acid Formula: C29H24ClNO3 MolecularWeight: 469.95876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)O)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H24ClNO3/c30-27-16-14-25(15-17-27)28(32)31(19-18-21-4-2-1-3-5-21)20-22-6-8-23(9-7-22)24-10-12-26(13-11-24)29(33)34/h1-17H,18-20H2,(H,33,34)