[2,2,4-trimethyl-1-(phenylmethyl)quinolin-6-yl] octanoate

Systemtic Name: [2,2,4-trimethyl-1-(phenylmethyl)quinolin-6-yl] octanoate Openeye Name: (1-benzyl-2,2,4-trimethyl-6-quinolyl) octanoate CAS Name: octanoic acid [2,2,4-trimethyl-1-(phenylmethyl)-6-quinolinyl] ester IUPAC Name: (1-benzyl-2,2,4-trimethylquinolin-6-yl) octanoate Traditional Name: caprylic acid (1-benzyl-2,2,4-trimethyl-6-quinolyl) ester Formula: C27H35NO2 MolecularWeight: 405.5723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC2=C(C=C1)N(C(C=C2C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)OC1=CC2=C(C=C1)N(C(C=C2C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C27H35NO2/c1-5-6-7-8-12-15-26(29)30-23-16-17-25-24(18-23)21(2)19-27(3,4)28(25)20-22-13-10-9-11-14-22/h9-11,13-14,16-19H,5-8,12,15,20H2,1-4H3