ethyl 2-methyl-1-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[4-(3-methylanilino)-4-oxo-butyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[4-(3-methylanilino)-4-oxobutyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[4-(3-methylanilino)-4-oxobutyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[4-keto-4-(m-toluidino)butyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCCC(=O)NC3=CC=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCCC(=O)NC3=CC=CC(=C3)C)C

InChI

InChI=1S/C25H28N2O3/c1-4-30-25(29)22-17-23(20-11-6-5-7-12-20)27(19(22)3)15-9-14-24(28)26-21-13-8-10-18(2)16-21/h5-8,10-13,16-17H,4,9,14-15H2,1-3H3,(H,26,28)