2-bromanyl-4-(1H-indol-4-ylmethylcarbamoyl)benzoic acid

Systemtic Name: 2-bromanyl-4-(1H-indol-4-ylmethylcarbamoyl)benzoic acid Openeye Name: 2-bromo-4-(1H-indol-4-ylmethylcarbamoyl)benzoic acid CAS Name: 2-bromo-4-[(1H-indol-4-ylmethylamino)-oxomethyl]benzoic acid IUPAC Name: 2-bromo-4-(1H-indol-4-ylmethylcarbamoyl)benzoic acid Traditional Name: 2-bromo-4-(1H-indol-4-ylmethylcarbamoyl)benzoic acid Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CNC2=C1)CNC(=O)C3=CC(=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1=CC(=C2C=CNC2=C1)CNC(=O)C3=CC(=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C17H13BrN2O3/c18-14-8-10(4-5-13(14)17(22)23)16(21)20-9-11-2-1-3-15-12(11)6-7-19-15/h1-8,19H,9H2,(H,20,21)(H,22,23)