1-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]indole-4-carboxylic acid

Systemtic Name: 1-[1-(butan-2-ylamino)-1-oxidanylidene-propan-2-yl]indole-4-carboxylic acid Openeye Name: 1-[1-methyl-2-oxo-2-(sec-butylamino)ethyl]indole-4-carboxylic acid CAS Name: 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-4-indolecarboxylic acid IUPAC Name: 1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]indole-4-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-(sec-butylamino)ethyl]indole-4-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)N1C=CC2=C(C=CC=C21)C(=O)O

Isomeric SMILES

CCC(C)NC(=O)C(C)N1C=CC2=C(C=CC=C21)C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-4-10(2)17-15(19)11(3)18-9-8-12-13(16(20)21)6-5-7-14(12)18/h5-11H,4H2,1-3H3,(H,17,19)(H,20,21)