[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate

Systemtic Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate Openeye Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl] 3-amino-4-methyl-benzoate CAS Name: 3-amino-4-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-amino-4-methylbenzoate Traditional Name: 3-amino-4-methyl-benzoic acid [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-14-6-7-15(11-18(14)23)22(26)29-13-21(25)24-10-4-5-19(24)17-12-16(27-2)8-9-20(17)28-3/h6-9,11-12,19H,4-5,10,13,23H2,1-3H3/t19-/m1/s1