[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 4-propoxybenzoate

Systemtic Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl] 4-propoxybenzoate Openeye Name: [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic 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] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]-2-keto-ethyl] ester Formula: C24H29NO6 MolecularWeight: 427.49016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCCC2C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C24H29NO6/c1-4-14-30-18-9-7-17(8-10-18)24(27)31-16-23(26)25-13-5-6-21(25)20-15-19(28-2)11-12-22(20)29-3/h7-12,15,21H,4-6,13-14,16H2,1-3H3/t21-/m1/s1