4-[(3-carboxy-2,4,4-trimethyl-cyclohexyl)amino]benzoic acid

Systemtic Name: 4-[(3-carboxy-2,4,4-trimethyl-cyclohexyl)amino]benzoic acid Openeye Name: 4-[(3-carboxy-2,4,4-trimethyl-cyclohexyl)amino]benzoic acid CAS Name: 4-[(3-carboxy-2,4,4-trimethylcyclohexyl)amino]benzoic acid IUPAC Name: 4-[(3-carboxy-2,4,4-trimethylcyclohexyl)amino]benzoic acid Traditional Name: 4-[(3-carboxy-2,4,4-trimethyl-cyclohexyl)amino]benzoic acid Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(C1C(=O)O)(C)C)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1C(CCC(C1C(=O)O)(C)C)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H23NO4/c1-10-13(8-9-17(2,3)14(10)16(21)22)18-12-6-4-11(5-7-12)15(19)20/h4-7,10,13-14,18H,8-9H2,1-3H3,(H,19,20)(H,21,22)