ethyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N2O4/c1-2-28-22(27)16-7-9-18(10-8-16)24-20(25)13-19(21(24)26)23-12-11-15-5-3-4-6-17(15)14-23/h3-10,19H,2,11-14H2,1H3