4-[2-[5-chloranyl-3-ethyl-2-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-6-oxidanylidene-pyridin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[5-chloranyl-3-ethyl-2-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-6-oxidanylidene-pyridin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[5-chloro-3-ethyl-2-[[(2R)-2-isobutylpyrrolidin-1-yl]methyl]-6-oxo-1-pyridyl]ethyl]benzoic acid CAS Name: 4-[2-[5-chloro-3-ethyl-2-[[(2R)-2-(2-methylpropyl)-1-pyrrolidinyl]methyl]-6-oxo-1-pyridinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[5-chloro-3-ethyl-2-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-6-oxopyridin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[5-chloro-3-ethyl-2-[[(2R)-2-isobutylpyrrolidino]methyl]-6-keto-1-pyridyl]ethyl]benzoic acid Formula: C25H33ClN2O3 MolecularWeight: 444.99412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)C(=C1)Cl)CCC2=CC=C(C=C2)C(=O)O)CN3CCCC3CC(C)C

Isomeric SMILES

CCC1=C(N(C(=O)C(=C1)Cl)CCC2=CC=C(C=C2)C(=O)O)CN3CCC[C@@H]3CC(C)C

InChI

InChI=1S/C25H33ClN2O3/c1-4-19-15-22(26)24(29)28(13-11-18-7-9-20(10-8-18)25(30)31)23(19)16-27-12-5-6-21(27)14-17(2)3/h7-10,15,17,21H,4-6,11-14,16H2,1-3H3,(H,30,31)/t21-/m1/s1