O1-methyl O4-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O4-[2-(isopentylcarbamoylamino)-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-(isoamylcarbamoylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C17H22N2O6/c1-11(2)8-9-18-17(23)19-14(20)10-25-16(22)13-6-4-12(5-7-13)15(21)24-3/h4-7,11H,8-10H2,1-3H3,(H2,18,19,20,23)