2-(3-bromanylpyridin-4-yl)carbonyl-1-(phenylmethyl)indole-3-carboxylic acid

Systemtic Name: 2-(3-bromanylpyridin-4-yl)carbonyl-1-(phenylmethyl)indole-3-carboxylic acid Openeye Name: 1-benzyl-2-(3-bromopyridine-4-carbonyl)indole-3-carboxylic acid CAS Name: 2-[(3-bromo-4-pyridinyl)-oxomethyl]-1-(phenylmethyl)-3-indolecarboxylic acid IUPAC Name: 1-benzyl-2-(3-bromopyridine-4-carbonyl)indole-3-carboxylic acid Traditional Name: 1-benzyl-2-(3-bromoisonicotinoyl)indole-3-carboxylic acid Formula: C22H15BrN2O3 MolecularWeight: 435.2701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)C4=C(C=NC=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)C4=C(C=NC=C4)Br)C(=O)O

InChI

InChI=1S/C22H15BrN2O3/c23-17-12-24-11-10-15(17)21(26)20-19(22(27)28)16-8-4-5-9-18(16)25(20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,27,28)