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

Systemtic Name: ethyl 1-[3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[3-(4-bromo-3-methyl-anilino)-3-oxo-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-(4-bromo-3-methyl-anilino)-3-keto-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H25BrN2O3 MolecularWeight: 469.3709

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrN2O3/c1-4-30-24(29)20-15-22(18-8-6-5-7-9-18)27(17(20)3)13-12-23(28)26-19-10-11-21(25)16(2)14-19/h5-11,14-15H,4,12-13H2,1-3H3,(H,26,28)