ethyl 6-bromanyl-1-butyl-2-[[(4-chlorophenyl)amino]methyl]-5-methoxy-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-butyl-2-[[(4-chlorophenyl)amino]methyl]-5-methoxy-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-butyl-2-[(4-chloroanilino)methyl]-5-methoxy-indole-3-carboxylate CAS Name: 6-bromo-1-butyl-2-[(4-chloroanilino)methyl]-5-methoxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-butyl-2-[(4-chloroanilino)methyl]-5-methoxyindole-3-carboxylate Traditional Name: 6-bromo-1-butyl-2-[(4-chloroanilino)methyl]-5-methoxy-indole-3-carboxylic acid ethyl ester Formula: C23H26BrClN2O3 MolecularWeight: 493.82114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=C(C=C2C(=C1CNC3=CC=C(C=C3)Cl)C(=O)OCC)OC)Br

Isomeric SMILES

CCCCN1C2=CC(=C(C=C2C(=C1CNC3=CC=C(C=C3)Cl)C(=O)OCC)OC)Br

InChI

InChI=1S/C23H26BrClN2O3/c1-4-6-11-27-19-13-18(24)21(29-3)12-17(19)22(23(28)30-5-2)20(27)14-26-16-9-7-15(25)8-10-16/h7-10,12-13,26H,4-6,11,14H2,1-3H3