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

Systemtic Name: 4-butoxy-3-octoxy-1-octyl-7-[(phenylmethyl)amino]quinolin-2-one Openeye Name: 7-(benzylamino)-4-butoxy-3-octoxy-1-octyl-quinolin-2-one CAS Name: 4-butoxy-3-octoxy-1-octyl-7-[(phenylmethyl)amino]-2-quinolinone IUPAC Name: 7-(benzylamino)-4-butoxy-3-octoxy-1-octylquinolin-2-one Traditional Name: 7-(benzylamino)-4-butoxy-3-octoxy-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)OCCCCCCCC)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C36H54N2O3/c1-4-7-10-12-14-19-25-38-33-28-31(37-29-30-21-17-16-18-22-30)23-24-32(33)34(40-26-9-6-3)35(36(38)39)41-27-20-15-13-11-8-5-2/h16-18,21-24,28,37H,4-15,19-20,25-27,29H2,1-3H3