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

Systemtic Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCCC2C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H25NO5/c1-15-6-4-7-16(12-15)22(25)28-14-21(24)23-11-5-8-19(23)18-13-17(26-2)9-10-20(18)27-3/h4,6-7,9-10,12-13,19H,5,8,11,14H2,1-3H3/t19-/m1/s1