ethyl 1-(4-bromophenyl)carbonyl-4-(phenylmethyl)pyrrolo[1,2-a]benzimidazole-3-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)carbonyl-4-(phenylmethyl)pyrrolo[1,2-a]benzimidazole-3-carboxylate Openeye Name: ethyl 4-benzyl-1-(4-bromobenzoyl)pyrrolo[1,2-a]benzimidazole-3-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-(phenylmethyl)-3-pyrrolo[1,2-a]benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-(4-bromobenzoyl)pyrrolo[1,2-a]benzimidazole-3-carboxylate Traditional Name: 4-benzyl-1-(4-bromobenzoyl)pyrrolo[1,2-a]benzimidazole-3-carboxylic acid ethyl ester Formula: C27H21BrN2O3 MolecularWeight: 501.37124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2N(C3=CC=CC=C3N2C(=C1)C(=O)C4=CC=C(C=C4)Br)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C2N(C3=CC=CC=C3N2C(=C1)C(=O)C4=CC=C(C=C4)Br)CC5=CC=CC=C5

InChI

InChI=1S/C27H21BrN2O3/c1-2-33-27(32)21-16-24(25(31)19-12-14-20(28)15-13-19)30-23-11-7-6-10-22(23)29(26(21)30)17-18-8-4-3-5-9-18/h3-16H,2,17H2,1H3