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

Systemtic Name: ethyl 1-[4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-butyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[4-(3-chloro-4-methyl-anilino)-4-oxo-butyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[4-(3-chloro-4-methylanilino)-4-oxobutyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-chloro-4-methylanilino)-4-oxobutyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[4-(3-chloro-4-methyl-anilino)-4-keto-butyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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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(=C(C=C3)C)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O3/c1-4-31-25(30)21-16-23(19-9-6-5-7-10-19)28(18(21)3)14-8-11-24(29)27-20-13-12-17(2)22(26)15-20/h5-7,9-10,12-13,15-16H,4,8,11,14H2,1-3H3,(H,27,29)