[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] (3R)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] (3R)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] (3R)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H25NO6/c1-2-16-4-7-19(8-5-16)25-14-18(13-23(25)27)24(28)31-15-20(26)17-6-9-21-22(12-17)30-11-3-10-29-21/h4-9,12,18H,2-3,10-11,13-15H2,1H3/t18-/m1/s1