ethyl 5-[(3-bromophenyl)-(5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-[(3-bromophenyl)-(5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 5-[(3-bromophenyl)-(5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(3-bromophenyl)-(5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-bromophenyl)-(5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[(3-bromophenyl)-(5-carbethoxy-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C25H29BrN2O4 MolecularWeight: 501.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C(C2=CC(=CC=C2)Br)C3=C(C(=C(N3)C(=O)OCC)C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C(C2=CC(=CC=C2)Br)C3=C(C(=C(N3)C(=O)OCC)C)C)C)C

InChI

InChI=1S/C25H29BrN2O4/c1-7-31-24(29)22-15(5)13(3)20(27-22)19(17-10-9-11-18(26)12-17)21-14(4)16(6)23(28-21)25(30)32-8-2/h9-12,19,27-28H,7-8H2,1-6H3