4-bromanyl-3-methyl-5-phenylmethoxy-1H-indole-2-carboxylate

Systemtic Name: 4-bromanyl-3-methyl-5-phenylmethoxy-1H-indole-2-carboxylate Openeye Name: 5-benzyloxy-4-bromo-3-methyl-1H-indole-2-carboxylate CAS Name: 4-bromo-3-methyl-5-phenylmethoxy-1H-indole-2-carboxylate IUPAC Name: 4-bromo-3-methyl-5-phenylmethoxy-1H-indole-2-carboxylate Traditional Name: 5-benzoxy-4-bromo-3-methyl-1H-indole-2-carboxylate Formula: C17H13BrNO3- MolecularWeight: 359.19402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=C(C=C2)OCC3=CC=CC=C3)Br)C(=O)[O-]

Isomeric SMILES

CC1=C(NC2=C1C(=C(C=C2)OCC3=CC=CC=C3)Br)C(=O)[O-]

InChI

InChI=1S/C17H14BrNO3/c1-10-14-12(19-16(10)17(20)21)7-8-13(15(14)18)22-9-11-5-3-2-4-6-11/h2-8,19H,9H2,1H3,(H,20,21)/p-1