2-[2-[[(4-chlorophenyl)carbonyl-heptan-4-yl-amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[[(4-chlorophenyl)carbonyl-heptan-4-yl-amino]methyl]phenyl]benzoic acid Openeye Name: 2-[2-[[(4-chlorobenzoyl)-(1-propylbutyl)amino]methyl]phenyl]benzoic acid CAS Name: 2-[2-[[[(4-chlorophenyl)-oxomethyl]-heptan-4-ylamino]methyl]phenyl]benzoic acid IUPAC Name: 2-[2-[[(4-chlorobenzoyl)-heptan-4-ylamino]methyl]phenyl]benzoic acid Traditional Name: 2-[2-[[(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=C1C2=CC=CC=C2C(=O)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC(CCC)N(CC1=CC=CC=C1C2=CC=CC=C2C(=O)O)C(=O)C3=CC=C(C=C3)Cl

InChI

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