[3-methyl-2-[(E)-non-2-enyl]-4-oxidanylidene-quinolin-1-yl] benzoate

Systemtic Name: [3-methyl-2-[(E)-non-2-enyl]-4-oxidanylidene-quinolin-1-yl] benzoate Openeye Name: [3-methyl-2-[(E)-non-2-enyl]-4-oxo-1-quinolyl] benzoate CAS Name: benzoic acid [3-methyl-2-[(E)-non-2-enyl]-4-oxo-1-quinolinyl] ester IUPAC Name: [3-methyl-2-[(E)-non-2-enyl]-4-oxoquinolin-1-yl] benzoate Traditional Name: benzoic acid [4-keto-3-methyl-2-[(E)-non-2-enyl]-1-quinolyl] ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCC1=C(C(=O)C2=CC=CC=C2N1OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCC/C=C/CC1=C(C(=O)C2=CC=CC=C2N1OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C26H29NO3/c1-3-4-5-6-7-8-12-18-23-20(2)25(28)22-17-13-14-19-24(22)27(23)30-26(29)21-15-10-9-11-16-21/h8-17,19H,3-7,18H2,1-2H3/b12-8+