ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-[[(phenylmethyl)amino]methyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-oxidanyl-2-[[(phenylmethyl)amino]methyl]indole-3-carboxylate Openeye Name: ethyl 2-[(benzylamino)methyl]-6-bromo-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[[(phenylmethyl)amino]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(benzylamino)methyl]-6-bromo-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 2-[(benzylamino)methyl]-6-bromo-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNCC3=CC=CC=C3

InChI

InChI=1S/C20H21BrN2O3/c1-3-26-20(25)19-14-9-18(24)15(21)10-16(14)23(2)17(19)12-22-11-13-7-5-4-6-8-13/h4-10,22,24H,3,11-12H2,1-2H3