1-[4-[(3-tert-butylimidazol-4-yl)carbonylamino]butyl]-3-phenyl-indole-6-carboxylic acid

Systemtic Name: 1-[4-[(3-tert-butylimidazol-4-yl)carbonylamino]butyl]-3-phenyl-indole-6-carboxylic acid Openeye Name: 1-[4-[(3-tert-butylimidazole-4-carbonyl)amino]butyl]-3-phenyl-indole-6-carboxylic acid CAS Name: 1-[4-[[(3-tert-butyl-4-imidazolyl)-oxomethyl]amino]butyl]-3-phenyl-6-indolecarboxylic acid IUPAC Name: 1-[4-[(3-tert-butylimidazole-4-carbonyl)amino]butyl]-3-phenylindole-6-carboxylic acid Traditional Name: 1-[4-[(3-tert-butylimidazole-4-carbonyl)amino]butyl]-3-phenyl-indole-6-carboxylic acid Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=NC=C1C(=O)NCCCCN2C=C(C3=C2C=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C=NC=C1C(=O)NCCCCN2C=C(C3=C2C=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c1-27(2,3)31-18-28-16-24(31)25(32)29-13-7-8-14-30-17-22(19-9-5-4-6-10-19)21-12-11-20(26(33)34)15-23(21)30/h4-6,9-12,15-18H,7-8,13-14H2,1-3H3,(H,29,32)(H,33,34)