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

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-bis(oxidanylidene)-2-propyl-isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-1,3-dioxo-2-propyl-isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-1,3-dioxo-2-propyl-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-1,3-dioxo-2-propylisoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-1,3-diketo-2-propyl-isoquinoline-4-carboxylic acid methyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)N)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)N)C(=O)OC

InChI

InChI=1S/C16H18N2O5/c1-3-8-18-13(20)10-6-4-5-7-11(10)16(14(18)21,9-12(17)19)15(22)23-2/h4-7H,3,8-9H2,1-2H3,(H2,17,19)