4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-7-[(phenylmethyl)amino]quinolin-2-one

Systemtic Name: 4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-7-[(phenylmethyl)amino]quinolin-2-one Openeye Name: 7-(benzylamino)-4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-quinolin-2-one CAS Name: 4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-7-[(phenylmethyl)amino]-2-quinolinone IUPAC Name: 7-(benzylamino)-4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octylquinolin-2-one Traditional Name: 7-(benzylamino)-4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-carbostyril Formula: C38H54N2O3 MolecularWeight: 586.84696

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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(C)CCC=C(C)C)OCCCC

Isomeric SMILES

CCCCCCCCN1C2=C(C=CC(=C2)NCC3=CC=CC=C3)C(=C(C1=O)OC/C=C(\C)/CCC=C(C)C)OCCCC

InChI

InChI=1S/C38H54N2O3/c1-6-8-10-11-12-16-25-40-35-28-33(39-29-32-20-14-13-15-21-32)22-23-34(35)36(42-26-9-7-2)37(38(40)41)43-27-24-31(5)19-17-18-30(3)4/h13-15,18,20-24,28,39H,6-12,16-17,19,25-27,29H2,1-5H3/b31-24+