ethyl 6-bromanyl-5-methoxy-1-phenyl-2-(1,2,3,4-tetrazol-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-phenyl-2-(1,2,3,4-tetrazol-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-(tetrazol-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-phenyl-2-(1-tetrazolylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-(tetrazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-phenyl-2-(tetrazol-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C20H18BrN5O3 MolecularWeight: 456.29262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4C=NN=N4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4C=NN=N4

InChI

InChI=1S/C20H18BrN5O3/c1-3-29-20(27)19-14-9-18(28-2)15(21)10-16(14)26(13-7-5-4-6-8-13)17(19)11-25-12-22-23-24-25/h4-10,12H,3,11H2,1-2H3