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

Systemtic Name: O1-methyl O4-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] benzene-1,4-dicarboxylate Openeye Name: O4-[2-(1-ethylpropylamino)-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-oxo-2-(pentan-3-ylamino)ethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-(1-ethylpropylamino)-2-keto-ethyl] ester O1-methyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-4-13(5-2)17-14(18)10-22-16(20)12-8-6-11(7-9-12)15(19)21-3/h6-9,13H,4-5,10H2,1-3H3,(H,17,18)