ethyl 6-bromanyl-1-butyl-5-(cyanomethoxy)-2-[[methyl(phenyl)amino]methyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-butyl-5-(cyanomethoxy)-2-[[methyl(phenyl)amino]methyl]indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-butyl-5-(cyanomethoxy)-2-[(N-methylanilino)methyl]indole-3-carboxylate CAS Name: 6-bromo-1-butyl-5-(cyanomethoxy)-2-[(N-methylanilino)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-butyl-5-(cyanomethoxy)-2-[(N-methylanilino)methyl]indole-3-carboxylate Traditional Name: 6-bromo-1-butyl-5-(cyanomethoxy)-2-[(N-methylanilino)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H28BrN3O3 MolecularWeight: 498.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=C(C=C2C(=C1CN(C)C3=CC=CC=C3)C(=O)OCC)OCC#N)Br

Isomeric SMILES

CCCCN1C2=CC(=C(C=C2C(=C1CN(C)C3=CC=CC=C3)C(=O)OCC)OCC#N)Br

InChI

InChI=1S/C25H28BrN3O3/c1-4-6-13-29-21-16-20(26)23(32-14-12-27)15-19(21)24(25(30)31-5-2)22(29)17-28(3)18-10-8-7-9-11-18/h7-11,15-16H,4-6,13-14,17H2,1-3H3