5-(3,3-dimethylbutanoylamino)-1-phenyl-indole-2-carboxylic acid

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-1-phenyl-indole-2-carboxylic acid Openeye Name: 5-(3,3-dimethylbutanoylamino)-1-phenyl-indole-2-carboxylic acid CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-1-phenyl-2-indolecarboxylic acid IUPAC Name: 5-(3,3-dimethylbutanoylamino)-1-phenylindole-2-carboxylic acid Traditional Name: 5-(3,3-dimethylbutanoylamino)-1-phenyl-indole-2-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-21(2,3)13-19(24)22-15-9-10-17-14(11-15)12-18(20(25)26)23(17)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,24)(H,25,26)