ethyl 2-(2-heptylundecanoylamino)-7-(2-methylphenyl)-4-oxidanylidene-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate

Systemtic Name: ethyl 2-(2-heptylundecanoylamino)-7-(2-methylphenyl)-4-oxidanylidene-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: ethyl 2-(2-heptylundecanoylamino)-7-(o-tolyl)-4-oxo-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 2-[(2-heptyl-1-oxoundecyl)amino]-7-(2-methylphenyl)-4-oxo-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-heptylundecanoylamino)-7-(2-methylphenyl)-4-oxo-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 2-(2-heptylundecanoylamino)-4-keto-7-(o-tolyl)-6H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester Formula: C35H51N3O4 MolecularWeight: 577.79714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCC)C(=O)NC1=CC(=O)N2CC(=C(C2=N1)C(=O)OCC)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCCCCC(CCCCCCC)C(=O)NC1=CC(=O)N2CC(=C(C2=N1)C(=O)OCC)C3=CC=CC=C3C

InChI

InChI=1S/C35H51N3O4/c1-5-8-10-12-13-15-17-22-27(21-16-14-11-9-6-2)34(40)37-30-24-31(39)38-25-29(28-23-19-18-20-26(28)4)32(33(38)36-30)35(41)42-7-3/h18-20,23-24,27H,5-17,21-22,25H2,1-4H3,(H,37,40)