4-(1-butyl-2,3-dihydroindol-5-yl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(1-butyl-2,3-dihydroindol-5-yl)-4-oxidanylidene-butanoate Openeye Name: 4-(1-butylindolin-5-yl)-4-oxo-butanoate CAS Name: 4-(1-butyl-2,3-dihydroindol-5-yl)-4-oxobutanoate IUPAC Name: 4-(1-butyl-2,3-dihydroindol-5-yl)-4-oxobutanoate Traditional Name: 4-(1-butylindolin-5-yl)-4-keto-butyrate Formula: C16H20NO3- MolecularWeight: 274.3349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C1C=CC(=C2)C(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCN1CCC2=C1C=CC(=C2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H21NO3/c1-2-3-9-17-10-8-12-11-13(4-5-14(12)17)15(18)6-7-16(19)20/h4-5,11H,2-3,6-10H2,1H3,(H,19,20)/p-1