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

Systemtic Name: [3-methyl-2-[(E)-non-2-enyl]-4-oxidanylidene-quinolin-1-yl] 2-phenylethanoate Openeye Name: [3-methyl-2-[(E)-non-2-enyl]-4-oxo-1-quinolyl] 2-phenylacetate CAS Name: 2-phenylacetic 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] 2-phenylacetate Traditional Name: 2-phenylacetic acid [4-keto-3-methyl-2-[(E)-non-2-enyl]-1-quinolyl] ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCC1=C(C(=O)C2=CC=CC=C2N1OC(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCCC/C=C/CC1=C(C(=O)C2=CC=CC=C2N1OC(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C27H31NO3/c1-3-4-5-6-7-8-12-18-24-21(2)27(30)23-17-13-14-19-25(23)28(24)31-26(29)20-22-15-10-9-11-16-22/h8-17,19H,3-7,18,20H2,1-2H3/b12-8+