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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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