3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-2-oxidanyl-7-[(phenylmethyl)amino]quinolin-4-one

Systemtic Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-2-oxidanyl-7-[(phenylmethyl)amino]quinolin-4-one Openeye Name: 7-(benzylamino)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-1-octyl-quinolin-4-one CAS Name: 3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-1-octyl-7-[(phenylmethyl)amino]-4-quinolinone IUPAC Name: 7-(benzylamino)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-1-octylquinolin-4-one Traditional Name: 7-(benzylamino)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-1-octyl-4-quinolone Formula: C34H46N2O3 MolecularWeight: 530.74064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=CC(=C2)NCC3=CC=CC=C3)C(=O)C(=C1O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCN1C2=C(C=CC(=C2)NCC3=CC=CC=C3)C(=O)C(=C1O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C34H46N2O3/c1-5-6-7-8-9-13-22-36-31-24-29(35-25-28-17-11-10-12-18-28)19-20-30(31)32(37)33(34(36)38)39-23-21-27(4)16-14-15-26(2)3/h10-12,15,17-21,24,35,38H,5-9,13-14,16,22-23,25H2,1-4H3/b27-21+