6-bromanyl-1-butyl-5-(carboxymethyloxy)-2-[[methyl(phenyl)amino]methyl]indole-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-butyl-5-(carboxymethyloxy)-2-[[methyl(phenyl)amino]methyl]indole-3-carboxylic acid Openeye Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-[(N-methylanilino)methyl]indole-3-carboxylic acid CAS Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-[(N-methylanilino)methyl]-3-indolecarboxylic acid IUPAC Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-[(N-methylanilino)methyl]indole-3-carboxylic acid Traditional Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-[(N-methylanilino)methyl]indole-3-carboxylic acid Formula: C23H25BrN2O5 MolecularWeight: 489.359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O5/c1-3-4-10-26-18-12-17(24)20(31-14-21(27)28)11-16(18)22(23(29)30)19(26)13-25(2)15-8-6-5-7-9-15/h5-9,11-12H,3-4,10,13-14H2,1-2H3,(H,27,28)(H,29,30)