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

Systemtic Name: 4-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzoic acid Openeye Name: 4-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzoic acid CAS Name: 4-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(CC2)NCC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(CC2)NCC3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C22H24N2O3/c1-27-20-4-2-3-18(13-20)22(15-23)11-9-19(10-12-22)24-14-16-5-7-17(8-6-16)21(25)26/h2-8,13,19,24H,9-12,14H2,1H3,(H,25,26)