3-[3-[[(4-chlorophenyl)carbonyl-heptan-4-yl-amino]methyl]phenyl]benzoic acid

Systemtic Name: 3-[3-[[(4-chlorophenyl)carbonyl-heptan-4-yl-amino]methyl]phenyl]benzoic acid Openeye Name: 3-[3-[[(4-chlorobenzoyl)-(1-propylbutyl)amino]methyl]phenyl]benzoic acid CAS Name: 3-[3-[[[(4-chlorophenyl)-oxomethyl]-heptan-4-ylamino]methyl]phenyl]benzoic acid IUPAC Name: 3-[3-[[(4-chlorobenzoyl)-heptan-4-ylamino]methyl]phenyl]benzoic acid Traditional Name: 3-[3-[[(4-chlorobenzoyl)-(1-propylbutyl)amino]methyl]phenyl]benzoic acid Formula: C28H30ClNO3 MolecularWeight: 463.9957

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N(CC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC(CCC)N(CC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C28H30ClNO3/c1-3-7-26(8-4-2)30(27(31)21-13-15-25(29)16-14-21)19-20-9-5-10-22(17-20)23-11-6-12-24(18-23)28(32)33/h5-6,9-18,26H,3-4,7-8,19H2,1-2H3,(H,32,33)