3-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 1-methyl-3-[2-oxo-2-(sec-butylamino)ethyl]indole-2-carboxylic acid CAS Name: 3-[2-(butan-2-ylamino)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(butan-2-ylamino)-2-oxoethyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[2-keto-2-(sec-butylamino)ethyl]-1-methyl-indole-2-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CC1=C(N(C2=CC=CC=C21)C)C(=O)O

Isomeric SMILES

CCC(C)NC(=O)CC1=C(N(C2=CC=CC=C21)C)C(=O)O

InChI

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