ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinoline-2-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinoline-2-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-quinoline-2-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-oxoquinoline-2-carboxylate Traditional Name: 4-keto-3-p-anisyl-1-piperonyl-quinaldic acid ethyl ester Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1CC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1CC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H25NO6/c1-3-33-28(31)26-22(14-18-8-11-20(32-2)12-9-18)27(30)21-6-4-5-7-23(21)29(26)16-19-10-13-24-25(15-19)35-17-34-24/h4-13,15H,3,14,16-17H2,1-2H3