3-(2-methylpentoxy)-1-octyl-2-oxidanyl-7-[(phenylmethyl)amino]quinolin-4-one

Systemtic Name: 3-(2-methylpentoxy)-1-octyl-2-oxidanyl-7-[(phenylmethyl)amino]quinolin-4-one Openeye Name: 7-(benzylamino)-2-hydroxy-3-(2-methylpentoxy)-1-octyl-quinolin-4-one CAS Name: 2-hydroxy-3-(2-methylpentoxy)-1-octyl-7-[(phenylmethyl)amino]-4-quinolinone IUPAC Name: 7-(benzylamino)-2-hydroxy-3-(2-methylpentoxy)-1-octylquinolin-4-one Traditional Name: 7-(benzylamino)-2-hydroxy-3-(2-methylpentoxy)-1-octyl-4-quinolone Formula: C30H42N2O3 MolecularWeight: 478.66608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N2O3/c1-4-6-7-8-9-13-19-32-27-20-25(31-21-24-15-11-10-12-16-24)17-18-26(27)28(33)29(30(32)34)35-22-23(3)14-5-2/h10-12,15-18,20,23,31,34H,4-9,13-14,19,21-22H2,1-3H3