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

Systemtic Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-7-[(phenylmethyl)amino]quinolin-2-one Openeye Name: 7-(benzylamino)-3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-quinolin-2-one CAS Name: 3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-7-[(phenylmethyl)amino]-2-quinolinone IUPAC Name: 7-(benzylamino)-3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methylquinolin-2-one Traditional Name: 7-(benzylamino)-3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-carbostyril Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=C(C=C(C=C2)NCC3=CC=CC=C3)N(C1=O)C)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CCCCOC1=C(C2=C(C=C(C=C2)NCC3=CC=CC=C3)N(C1=O)C)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C31H40N2O3/c1-6-7-19-35-30-29(36-20-18-24(4)13-11-12-23(2)3)27-17-16-26(21-28(27)33(5)31(30)34)32-22-25-14-9-8-10-15-25/h8-10,12,14-18,21,32H,6-7,11,13,19-20,22H2,1-5H3/b24-18+