2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1-oxidanylidene-3,4-dihydroisoquinoline-6-carboxylic acid

Systemtic Name: 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1-oxidanylidene-3,4-dihydroisoquinoline-6-carboxylic acid Openeye Name: 2-(2-tert-butoxy-2-oxo-ethyl)-1-oxo-3,4-dihydroisoquinoline-6-carboxylic acid CAS Name: 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1-oxo-3,4-dihydroisoquinoline-6-carboxylic acid IUPAC Name: 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1-oxo-3,4-dihydroisoquinoline-6-carboxylic acid Traditional Name: 2-(2-tert-butoxy-2-keto-ethyl)-1-keto-3,4-dihydroisoquinoline-6-carboxylic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)C(=O)O

InChI

InChI=1S/C16H19NO5/c1-16(2,3)22-13(18)9-17-7-6-10-8-11(15(20)21)4-5-12(10)14(17)19/h4-5,8H,6-7,9H2,1-3H3,(H,20,21)