6-bromanyl-5-(carboxymethyloxy)-2-methyl-1-(phenylmethyl)indole-3-carboxylic acid

Systemtic Name: 6-bromanyl-5-(carboxymethyloxy)-2-methyl-1-(phenylmethyl)indole-3-carboxylic acid Openeye Name: 1-benzyl-6-bromo-5-(carboxymethyloxy)-2-methyl-indole-3-carboxylic acid CAS Name: 6-bromo-5-(carboxymethyloxy)-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid IUPAC Name: 1-benzyl-6-bromo-5-(carboxymethyloxy)-2-methylindole-3-carboxylic acid Traditional Name: 1-benzyl-6-bromo-5-(carboxymethyloxy)-2-methyl-indole-3-carboxylic acid Formula: C19H16BrNO5 MolecularWeight: 418.23804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1CC3=CC=CC=C3)Br)OCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1CC3=CC=CC=C3)Br)OCC(=O)O)C(=O)O

InChI

InChI=1S/C19H16BrNO5/c1-11-18(19(24)25)13-7-16(26-10-17(22)23)14(20)8-15(13)21(11)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,22,23)(H,24,25)