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

Systemtic Name: 3-hexoxy-4-(3-methylbut-2-enoxy)-1-octyl-7-[(phenylmethyl)amino]quinolin-2-one Openeye Name: 7-(benzylamino)-3-hexoxy-4-(3-methylbut-2-enoxy)-1-octyl-quinolin-2-one CAS Name: 3-hexoxy-4-(3-methylbut-2-enoxy)-1-octyl-7-[(phenylmethyl)amino]-2-quinolinone IUPAC Name: 7-(benzylamino)-3-hexoxy-4-(3-methylbut-2-enoxy)-1-octylquinolin-2-one Traditional Name: 7-(benzylamino)-3-hexoxy-4-(3-methylbut-2-enoxy)-1-octyl-carbostyril Formula: C35H50N2O3 MolecularWeight: 546.7831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H50N2O3/c1-5-7-9-11-12-16-23-37-32-26-30(36-27-29-18-14-13-15-19-29)20-21-31(32)33(40-25-22-28(3)4)34(35(37)38)39-24-17-10-8-6-2/h13-15,18-22,26,36H,5-12,16-17,23-25,27H2,1-4H3