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

Systemtic Name: 4-[2-[5-chloranyl-3-cyclopropyl-2-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-6-oxidanylidene-pyridin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[5-chloro-3-cyclopropyl-2-[[(2R)-2-isobutylpyrrolidin-1-yl]methyl]-6-oxo-1-pyridyl]ethyl]benzoic acid CAS Name: 4-[2-[5-chloro-3-cyclopropyl-2-[[(2R)-2-(2-methylpropyl)-1-pyrrolidinyl]methyl]-6-oxo-1-pyridinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[5-chloro-3-cyclopropyl-2-[[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]methyl]-6-oxopyridin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[5-chloro-3-cyclopropyl-2-[[(2R)-2-isobutylpyrrolidino]methyl]-6-keto-1-pyridyl]ethyl]benzoic acid Formula: C26H33ClN2O3 MolecularWeight: 457.00482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CCCN1CC2=C(C=C(C(=O)N2CCC3=CC=C(C=C3)C(=O)O)Cl)C4CC4

Isomeric SMILES

CC(C)C[C@H]1CCCN1CC2=C(C=C(C(=O)N2CCC3=CC=C(C=C3)C(=O)O)Cl)C4CC4

InChI

InChI=1S/C26H33ClN2O3/c1-17(2)14-21-4-3-12-28(21)16-24-22(19-9-10-19)15-23(27)25(30)29(24)13-11-18-5-7-20(8-6-18)26(31)32/h5-8,15,17,19,21H,3-4,9-14,16H2,1-2H3,(H,31,32)/t21-/m1/s1