phenacyl (3S)-1-[(3,5-dimethoxyphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: phenacyl (3S)-1-[(3,5-dimethoxyphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: phenacyl (3S)-1-[(3,5-dimethoxybenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (3S)-1-[(3,5-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-[(3,5-dimethoxybenzoyl)amino]-5-keto-pyrrolidine-3-carboxylic acid phenacyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NN2CC(CC2=O)C(=O)OCC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NN2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H22N2O7/c1-29-17-8-15(9-18(11-17)30-2)21(27)23-24-12-16(10-20(24)26)22(28)31-13-19(25)14-6-4-3-5-7-14/h3-9,11,16H,10,12-13H2,1-2H3,(H,23,27)/t16-/m0/s1