O1-methyl O4-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O4-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester O1-methyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H23NO5/c1-13(2)17-7-5-6-14(3)19(17)22-18(23)12-27-21(25)16-10-8-15(9-11-16)20(24)26-4/h5-11,13H,12H2,1-4H3,(H,22,23)