2-[5-(2-acetamidoethylamino)-4-methoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoic acid

Systemtic Name: 2-[5-(2-acetamidoethylamino)-4-methoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoic acid Openeye Name: 2-[5-(2-acetamidoethylamino)-4-methoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-3-methyl-butanoic acid CAS Name: 2-[5-(2-acetamidoethylamino)-4-methoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl]-3-methylbutanoic acid IUPAC Name: 2-[5-(2-acetamidoethylamino)-4-methoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-methylbutanoic acid Traditional Name: 2-[5-(2-acetamidoethylamino)-3,6-diketo-4-methoxy-2-methyl-cyclohexa-1,4-dien-1-yl]-3-methyl-butyric acid Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)NCCNC(=O)C)C(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)NCCNC(=O)C)C(C(C)C)C(=O)O

InChI

InChI=1S/C17H24N2O6/c1-8(2)11(17(23)24)12-9(3)14(21)16(25-5)13(15(12)22)19-7-6-18-10(4)20/h8,11,19H,6-7H2,1-5H3,(H,18,20)(H,23,24)