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

Systemtic Name: ethyl 2-[[bis(phenylmethyl)amino]methyl]-6-bromanyl-1-methyl-5-oxidanyl-indole-3-carboxylate hydrochloride Openeye Name: ethyl 6-bromo-2-[(dibenzylamino)methyl]-5-hydroxy-1-methyl-indole-3-carboxylate hydrochloride CAS Name: 2-[[bis(phenylmethyl)amino]methyl]-6-bromo-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 6-bromo-2-[(dibenzylamino)methyl]-5-hydroxy-1-methylindole-3-carboxylate hydrochloride Traditional Name: 6-bromo-2-[(dibenzylamino)methyl]-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester hydrochloride Formula: C27H28BrClN2O3 MolecularWeight: 543.87982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CN(CC3=CC=CC=C3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C27H27BrN2O3.ClH/c1-3-33-27(32)26-21-14-25(31)22(28)15-23(21)29(2)24(26)18-30(16-19-10-6-4-7-11-19)17-20-12-8-5-9-13-20;/h4-15,31H,3,16-18H2,1-2H3;1H