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

Systemtic Name: phenacyl 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 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 phenacyl ester Formula: C28H24N2O5 MolecularWeight: 468.50056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3CC(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H24N2O5/c31-25(20-7-2-1-3-8-20)18-35-28(34)21-10-12-23(13-11-21)30-26(32)16-24(27(30)33)29-15-14-19-6-4-5-9-22(19)17-29/h1-13,24H,14-18H2