4-methyl-3-(4-phenylbutan-2-ylamino)benzoic acid

Systemtic Name: 4-methyl-3-(4-phenylbutan-2-ylamino)benzoic acid Openeye Name: 4-methyl-3-[(1-methyl-3-phenyl-propyl)amino]benzoic acid CAS Name: 4-methyl-3-(4-phenylbutan-2-ylamino)benzoic acid IUPAC Name: 4-methyl-3-(4-phenylbutan-2-ylamino)benzoic acid Traditional Name: 4-methyl-3-[(1-methyl-3-phenyl-propyl)amino]benzoic acid Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(C)CCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO2/c1-13-8-11-16(18(20)21)12-17(13)19-14(2)9-10-15-6-4-3-5-7-15/h3-8,11-12,14,19H,9-10H2,1-2H3,(H,20,21)