4-(2-azanyl-2-oxidanylidene-ethyl)-2-butyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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