4-[[(3,3-dimethyl-5-oxidanylidene-cyclohexen-1-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(3,3-dimethyl-5-oxidanylidene-cyclohexen-1-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(3,3-dimethyl-5-oxo-cyclohexen-1-yl)amino]methyl]benzoic acid CAS Name: 4-[[(3,3-dimethyl-5-oxo-1-cyclohexenyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(3,3-dimethyl-5-oxocyclohexen-1-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(5-keto-3,3-dimethyl-cyclohexen-1-yl)amino]methyl]benzoic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC(=C1)NCC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1(CC(=O)CC(=C1)NCC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C16H19NO3/c1-16(2)8-13(7-14(18)9-16)17-10-11-3-5-12(6-4-11)15(19)20/h3-6,8,17H,7,9-10H2,1-2H3,(H,19,20)