2-butyl-5-(hydroxymethyl)-4-imidazol-1-yl-3-methyl-1-phenyl-indole-7-carboxylic acid

Systemtic Name: 2-butyl-5-(hydroxymethyl)-4-imidazol-1-yl-3-methyl-1-phenyl-indole-7-carboxylic acid Openeye Name: 2-butyl-5-(hydroxymethyl)-4-imidazol-1-yl-3-methyl-1-phenyl-indole-7-carboxylic acid CAS Name: 2-butyl-5-(hydroxymethyl)-4-(1-imidazolyl)-3-methyl-1-phenyl-7-indolecarboxylic acid IUPAC Name: 2-butyl-5-(hydroxymethyl)-4-imidazol-1-yl-3-methyl-1-phenylindole-7-carboxylic acid Traditional Name: 2-butyl-4-imidazol-1-yl-3-methyl-5-methylol-1-phenyl-indole-7-carboxylic acid Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1C3=CC=CC=C3)C(=CC(=C2N4C=CN=C4)CO)C(=O)O)C

Isomeric SMILES

CCCCC1=C(C2=C(N1C3=CC=CC=C3)C(=CC(=C2N4C=CN=C4)CO)C(=O)O)C

InChI

InChI=1S/C24H25N3O3/c1-3-4-10-20-16(2)21-22(26-12-11-25-15-26)17(14-28)13-19(24(29)30)23(21)27(20)18-8-6-5-7-9-18/h5-9,11-13,15,28H,3-4,10,14H2,1-2H3,(H,29,30)