4-[[(1-cyclohexyl-3-oxidanylidene-propan-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(1-cyclohexyl-3-oxidanylidene-propan-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[[1-(cyclohexylmethyl)-2-oxo-ethyl]amino]methyl]benzoic acid CAS Name: 4-[[(1-cyclohexyl-3-oxopropan-2-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[(1-cyclohexyl-3-oxopropan-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[[1-(cyclohexylmethyl)-2-keto-ethyl]amino]methyl]benzoic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC(C=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H23NO3/c19-12-16(10-13-4-2-1-3-5-13)18-11-14-6-8-15(9-7-14)17(20)21/h6-9,12-13,16,18H,1-5,10-11H2,(H,20,21)