1-[(E)-oct-5-en-3-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[(E)-oct-5-en-3-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[(E)-1-ethylhex-3-enyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[(E)-oct-5-en-3-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[(E)-oct-5-en-3-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[(E)-1-ethylhex-3-enyl]-4-keto-quinoline-3-carboxylic acid Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(CC)N1C=C(C(=O)C2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC/C=C/CC(CC)N1C=C(C(=O)C2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C18H21NO3/c1-3-5-6-9-13(4-2)19-12-15(18(21)22)17(20)14-10-7-8-11-16(14)19/h5-8,10-13H,3-4,9H2,1-2H3,(H,21,22)/b6-5+