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

Systemtic Name: 4-hexoxy-3-(2-methylpentoxy)-1-octyl-7-[(phenylmethyl)amino]quinolin-2-one Openeye Name: 7-(benzylamino)-4-hexoxy-3-(2-methylpentoxy)-1-octyl-quinolin-2-one CAS Name: 4-hexoxy-3-(2-methylpentoxy)-1-octyl-7-[(phenylmethyl)amino]-2-quinolinone IUPAC Name: 7-(benzylamino)-4-hexoxy-3-(2-methylpentoxy)-1-octylquinolin-2-one Traditional Name: 7-(benzylamino)-4-hexoxy-3-(2-methylpentoxy)-1-octyl-carbostyril Formula: C36H54N2O3 MolecularWeight: 562.82556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=CC(=C2)NCC3=CC=CC=C3)C(=C(C1=O)OCC(C)CCC)OCCCCCC

Isomeric SMILES

CCCCCCCCN1C2=C(C=CC(=C2)NCC3=CC=CC=C3)C(=C(C1=O)OCC(C)CCC)OCCCCCC

InChI

InChI=1S/C36H54N2O3/c1-5-8-10-12-13-17-24-38-33-26-31(37-27-30-20-15-14-16-21-30)22-23-32(33)34(40-25-18-11-9-6-2)35(36(38)39)41-28-29(4)19-7-3/h14-16,20-23,26,29,37H,5-13,17-19,24-25,27-28H2,1-4H3