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

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-[(4-methoxyphenyl)methyl]-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-2-[(4-methoxyphenyl)methyl]-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-2-[(4-methoxyphenyl)methyl]-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-1,3-diketo-2-p-anisyl-isoquinoline-4-carboxylic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(C2=O)(CC(=O)N)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(C2=O)(CC(=O)N)C(=O)OC

InChI

InChI=1S/C21H20N2O6/c1-28-14-9-7-13(8-10-14)12-23-18(25)15-5-3-4-6-16(15)21(19(23)26,11-17(22)24)20(27)29-2/h3-10H,11-12H2,1-2H3,(H2,22,24)