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

Systemtic Name: 4-(3-methylbut-2-enoxy)-3-octoxy-1-octyl-7-[(phenylmethyl)amino]quinolin-2-one Openeye Name: 7-(benzylamino)-4-(3-methylbut-2-enoxy)-3-octoxy-1-octyl-quinolin-2-one CAS Name: 4-(3-methylbut-2-enoxy)-3-octoxy-1-octyl-7-[(phenylmethyl)amino]-2-quinolinone IUPAC Name: 7-(benzylamino)-4-(3-methylbut-2-enoxy)-3-octoxy-1-octylquinolin-2-one Traditional Name: 7-(benzylamino)-4-(3-methylbut-2-enoxy)-3-octoxy-1-octyl-carbostyril Formula: C37H54N2O3 MolecularWeight: 574.83626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H54N2O3/c1-5-7-9-11-13-18-25-39-34-28-32(38-29-31-20-16-15-17-21-31)22-23-33(34)35(42-27-24-30(3)4)36(37(39)40)41-26-19-14-12-10-8-6-2/h15-17,20-24,28,38H,5-14,18-19,25-27,29H2,1-4H3