methyl 4-bromanyl-1-oxidanyl-3-(phenylmethoxymethyl)indole-2-carboxylate

Systemtic Name: methyl 4-bromanyl-1-oxidanyl-3-(phenylmethoxymethyl)indole-2-carboxylate Openeye Name: methyl 3-(benzyloxymethyl)-4-bromo-1-hydroxy-indole-2-carboxylate CAS Name: 4-bromo-1-hydroxy-3-(phenylmethoxymethyl)-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-1-hydroxy-3-(phenylmethoxymethyl)indole-2-carboxylate Traditional Name: 3-(benzoxymethyl)-4-bromo-1-hydroxy-indole-2-carboxylic acid methyl ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1O)C=CC=C2Br)COCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1O)C=CC=C2Br)COCC3=CC=CC=C3

InChI

InChI=1S/C18H16BrNO4/c1-23-18(21)17-13(11-24-10-12-6-3-2-4-7-12)16-14(19)8-5-9-15(16)20(17)22/h2-9,22H,10-11H2,1H3