[(3S,5S)-5-(4-methoxyphenyl)-1-methyl-2-oxidanylidene-pyrrolidin-3-yl] pyridine-3-carboxylate

Systemtic Name: [(3S,5S)-5-(4-methoxyphenyl)-1-methyl-2-oxidanylidene-pyrrolidin-3-yl] pyridine-3-carboxylate Openeye Name: [(3S,5S)-5-(4-methoxyphenyl)-1-methyl-2-oxo-pyrrolidin-3-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(3S,5S)-5-(4-methoxyphenyl)-1-methyl-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [(3S,5S)-5-(4-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(3S,5S)-2-keto-5-(4-methoxyphenyl)-1-methyl-pyrrolidin-3-yl] ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(C1=O)OC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1[C@@H](C[C@@H](C1=O)OC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18N2O4/c1-20-15(12-5-7-14(23-2)8-6-12)10-16(17(20)21)24-18(22)13-4-3-9-19-11-13/h3-9,11,15-16H,10H2,1-2H3/t15-,16-/m0/s1