methyl 4-bromanyl-2-[phenyl-(phenylmethyl)amino]-1H-indole-3-carboxylate

Systemtic Name: methyl 4-bromanyl-2-[phenyl-(phenylmethyl)amino]-1H-indole-3-carboxylate Openeye Name: methyl 2-(N-benzylanilino)-4-bromo-1H-indole-3-carboxylate CAS Name: 4-bromo-2-(N-(phenylmethyl)anilino)-1H-indole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(N-benzylanilino)-4-bromo-1H-indole-3-carboxylate Traditional Name: 2-(N-benzylanilino)-4-bromo-1H-indole-3-carboxylic acid methyl ester Formula: C23H19BrN2O2 MolecularWeight: 435.31316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=C1C(=CC=C2)Br)N(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(NC2=C1C(=CC=C2)Br)N(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19BrN2O2/c1-28-23(27)21-20-18(24)13-8-14-19(20)25-22(21)26(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-14,25H,15H2,1H3