4-[[[3-(1-pyrrolidin-1-ylcyclohexyl)phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-(1-pyrrolidin-1-ylcyclohexyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(1-pyrrolidin-1-ylcyclohexyl)benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[3-[1-(1-pyrrolidinyl)cyclohexyl]phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(1-pyrrolidin-1-ylcyclohexyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(1-pyrrolidinocyclohexyl)benzoyl]amino]methyl]benzoic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)N4CCCC4

Isomeric SMILES

C1CCC(CC1)(C2=CC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O)N4CCCC4

InChI

InChI=1S/C25H30N2O3/c28-23(26-18-19-9-11-20(12-10-19)24(29)30)21-7-6-8-22(17-21)25(13-2-1-3-14-25)27-15-4-5-16-27/h6-12,17H,1-5,13-16,18H2,(H,26,28)(H,29,30)