3-[(2-butyl-5-methanoyl-imidazol-1-yl)methyl]-1-(2-ethoxycarbonylphenyl)indole-2-carboxylic acid

Systemtic Name: 3-[(2-butyl-5-methanoyl-imidazol-1-yl)methyl]-1-(2-ethoxycarbonylphenyl)indole-2-carboxylic acid Openeye Name: 3-[(2-butyl-5-formyl-imidazol-1-yl)methyl]-1-(2-ethoxycarbonylphenyl)indole-2-carboxylic acid CAS Name: 3-[(2-butyl-5-formyl-1-imidazolyl)methyl]-1-(2-ethoxycarbonylphenyl)-2-indolecarboxylic acid IUPAC Name: 3-[(2-butyl-5-formylimidazol-1-yl)methyl]-1-(2-ethoxycarbonylphenyl)indole-2-carboxylic acid Traditional Name: 3-[(2-butyl-5-formyl-imidazol-1-yl)methyl]-1-(2-carbethoxyphenyl)indole-2-carboxylic acid Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=C(N(C3=CC=CC=C32)C4=CC=CC=C4C(=O)OCC)C(=O)O)C=O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=C(N(C3=CC=CC=C32)C4=CC=CC=C4C(=O)OCC)C(=O)O)C=O

InChI

InChI=1S/C27H27N3O5/c1-3-5-14-24-28-15-18(17-31)29(24)16-21-19-10-6-8-12-22(19)30(25(21)26(32)33)23-13-9-7-11-20(23)27(34)35-4-2/h6-13,15,17H,3-5,14,16H2,1-2H3,(H,32,33)