5-[(3-bromophenyl)-(5-carboxy-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[(3-bromophenyl)-(5-carboxy-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[(3-bromophenyl)-(5-carboxy-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-[(3-bromophenyl)-(5-carboxy-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[(3-bromophenyl)-(5-carboxy-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[(3-bromophenyl)-(5-carboxy-3,4-dimethyl-1H-pyrrol-2-yl)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C(=O)O)C(C2=CC(=CC=C2)Br)C3=C(C(=C(N3)C(=O)O)C)C

Isomeric SMILES

CC1=C(NC(=C1C)C(=O)O)C(C2=CC(=CC=C2)Br)C3=C(C(=C(N3)C(=O)O)C)C

InChI

InChI=1S/C21H21BrN2O4/c1-9-11(3)18(20(25)26)23-16(9)15(13-6-5-7-14(22)8-13)17-10(2)12(4)19(24-17)21(27)28/h5-8,15,23-24H,1-4H3,(H,25,26)(H,27,28)