[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (3S)-1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (3S)-1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] (3S)-1-cyclopentyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-cyclopentyl-5-oxo-3-pyrrolidinecarboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-cyclopentyl-5-keto-pyrrolidine-3-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2CC(=O)N(C2)C3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3CCCC3)OC

InChI

InChI=1S/C22H30N2O6/c1-28-18-8-7-15(11-19(18)29-2)9-10-23-20(25)14-30-22(27)16-12-21(26)24(13-16)17-5-3-4-6-17/h7-8,11,16-17H,3-6,9-10,12-14H2,1-2H3,(H,23,25)/t16-/m0/s1