methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-butyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-butyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-2-butyl-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-2-butyl-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-2-butyl-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-2-butyl-1,3-diketo-isoquinoline-4-carboxylic acid methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-3-4-9-19-14(21)11-7-5-6-8-12(11)17(15(19)22,10-13(18)20)16(23)24-2/h5-8H,3-4,9-10H2,1-2H3,(H2,18,20)