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

Systemtic Name: 1-(cyclohexylmethyl)-5-(3,3-dimethylbutanoylamino)indole-2-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-5-(3,3-dimethylbutanoylamino)indole-2-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-indolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-5-(3,3-dimethylbutanoylamino)indole-2-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-5-(3,3-dimethylbutanoylamino)indole-2-carboxylic acid Formula: C22H30N2O3 MolecularWeight: 370.4852

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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)CC3CCCCC3

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3CCCCC3

InChI

InChI=1S/C22H30N2O3/c1-22(2,3)13-20(25)23-17-9-10-18-16(11-17)12-19(21(26)27)24(18)14-15-7-5-4-6-8-15/h9-12,15H,4-8,13-14H2,1-3H3,(H,23,25)(H,26,27)