3-bromanyl-6-methoxy-5-phenylmethoxy-indole-1-carboxylic acid

Systemtic Name: 3-bromanyl-6-methoxy-5-phenylmethoxy-indole-1-carboxylic acid Openeye Name: 5-benzyloxy-3-bromo-6-methoxy-indole-1-carboxylic acid CAS Name: 3-bromo-6-methoxy-5-phenylmethoxy-1-indolecarboxylic acid IUPAC Name: 3-bromo-6-methoxy-5-phenylmethoxyindole-1-carboxylic acid Traditional Name: 5-benzoxy-3-bromo-6-methoxy-indole-1-carboxylic acid Formula: C17H14BrNO4 MolecularWeight: 376.20136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C=C2Br)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C=C2Br)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H14BrNO4/c1-22-15-8-14-12(13(18)9-19(14)17(20)21)7-16(15)23-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,20,21)