[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)COC(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H22N2O5/c1-25-15-7-8-18(26-2)16(11-15)17-6-4-10-22(17)19(23)13-27-20(24)14-5-3-9-21-12-14/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3/t17-/m1/s1