3-methylbutyl 6-ethyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: 3-methylbutyl 6-ethyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: isopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-ethyl-4-oxo-1H-quinoline-3-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-ethyl-4-keto-1H-quinoline-3-carboxylic acid isoamyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC=C(C2=O)C(=O)OCCC(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC=C(C2=O)C(=O)OCCC(C)C

InChI

InChI=1S/C17H21NO3/c1-4-12-5-6-15-13(9-12)16(19)14(10-18-15)17(20)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)