methyl 2-[2-[2,5-bis(oxidanylidene)imidazolidin-4-yl]ethanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[2-[2,5-bis(oxidanylidene)imidazolidin-4-yl]ethanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[2-(2,5-dioxo-4-imidazolidinyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[2-(2,5-diketoimidazolidin-4-yl)acetyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)C(=O)CC3C(=O)NC(=O)N3)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)C(=O)CC3C(=O)NC(=O)N3)C=C1

InChI

InChI=1S/C16H17N3O5/c1-24-15(22)10-3-2-9-4-5-19(8-11(9)6-10)13(20)7-12-14(21)18-16(23)17-12/h2-3,6,12H,4-5,7-8H2,1H3,(H2,17,18,21,23)