4-[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]benzoic acid

Systemtic Name: 4-[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]benzoic acid Openeye Name: 4-[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]benzoic acid CAS Name: 4-[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]benzoic acid IUPAC Name: 4-[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]benzoic acid Traditional Name: 4-[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]benzoic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(CC2)NC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(CC2)NC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C21H22N2O3/c1-26-19-4-2-3-16(13-19)21(14-22)11-9-18(10-12-21)23-17-7-5-15(6-8-17)20(24)25/h2-8,13,18,23H,9-12H2,1H3,(H,24,25)