3-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-1H-indole-2-carboxylate

Systemtic Name: 3-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-1H-indole-2-carboxylate Openeye Name: 3-[2-(isopentylamino)-2-oxo-ethyl]-1H-indole-2-carboxylate CAS Name: 3-[2-(3-methylbutylamino)-2-oxoethyl]-1H-indole-2-carboxylate IUPAC Name: 3-[2-(3-methylbutylamino)-2-oxoethyl]-1H-indole-2-carboxylate Traditional Name: 3-[2-(isoamylamino)-2-keto-ethyl]-1H-indole-2-carboxylate Formula: C16H19N2O3- MolecularWeight: 287.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CC1=C(NC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)CC1=C(NC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C16H20N2O3/c1-10(2)7-8-17-14(19)9-12-11-5-3-4-6-13(11)18-15(12)16(20)21/h3-6,10,18H,7-9H2,1-2H3,(H,17,19)(H,20,21)/p-1