5-[3-chloranyl-4-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]phenyl]pyridine-3-carboxylic acid

Systemtic Name: 5-[3-chloranyl-4-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]phenyl]pyridine-3-carboxylic acid Openeye Name: 5-[3-chloro-4-[(1-cyclohexyl-2-oxo-pyrrolidin-3-yl)methyl]phenyl]pyridine-3-carboxylic acid CAS Name: 5-[3-chloro-4-[(1-cyclohexyl-2-oxo-3-pyrrolidinyl)methyl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]pyridine-3-carboxylic acid Traditional Name: 5-[3-chloro-4-[(1-cyclohexyl-2-keto-pyrrolidin-3-yl)methyl]phenyl]nicotinic acid Formula: C23H25ClN2O3 MolecularWeight: 412.9092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(C2=O)CC3=C(C=C(C=C3)C4=CC(=CN=C4)C(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)N2CCC(C2=O)CC3=C(C=C(C=C3)C4=CC(=CN=C4)C(=O)O)Cl

InChI

InChI=1S/C23H25ClN2O3/c24-21-12-15(18-11-19(23(28)29)14-25-13-18)6-7-16(21)10-17-8-9-26(22(17)27)20-4-2-1-3-5-20/h6-7,11-14,17,20H,1-5,8-10H2,(H,28,29)