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

Systemtic Name: [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxidanylidene-pyrrolidin-3-yl] 4-methylbenzoate Openeye Name: [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxo-pyrrolidin-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [(3S,5S)-5-(2-methoxyphenyl)-1-methyl-2-oxopyrrolidin-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(3S,5S)-2-keto-5-(2-methoxyphenyl)-1-methyl-pyrrolidin-3-yl] ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CC(N(C2=O)C)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H]2C[C@H](N(C2=O)C)C3=CC=CC=C3OC

InChI

InChI=1S/C20H21NO4/c1-13-8-10-14(11-9-13)20(23)25-18-12-16(21(2)19(18)22)15-6-4-5-7-17(15)24-3/h4-11,16,18H,12H2,1-3H3/t16-,18-/m0/s1