methyl 2-butyl-4-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate

Systemtic Name: methyl 2-butyl-4-[2-(methoxycarbonylamino)-2-oxidanylidene-ethyl]-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 2-butyl-4-[2-(methoxycarbonylamino)-2-oxo-ethyl]-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 2-butyl-4-[2-(methoxycarbonylamino)-2-oxoethyl]-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-4-[2-(methoxycarbonylamino)-2-oxoethyl]-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 2-butyl-4-[2-(carbomethoxyamino)-2-keto-ethyl]-1,3-diketo-isoquinoline-4-carboxylic acid methyl ester Formula: C19H22N2O7 MolecularWeight: 390.38718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)NC(=O)OC)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)NC(=O)OC)C(=O)OC

InChI

InChI=1S/C19H22N2O7/c1-4-5-10-21-15(23)12-8-6-7-9-13(12)19(16(21)24,17(25)27-2)11-14(22)20-18(26)28-3/h6-9H,4-5,10-11H2,1-3H3,(H,20,22,26)