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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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