O2-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester O4-isopropyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OC(C)C)C

InChI

InChI=1S/C23H27N3O5/c1-14(2)31-22(28)20-16(4)21(25-17(20)5)23(29)30-13-19(27)26(12-6-11-24)18-9-7-15(3)8-10-18/h7-10,14,25H,6,12-13H2,1-5H3