(phenylmethyl) 4-(6-chloranyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(6-chloranyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C25H22ClNO5 MolecularWeight: 451.89888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Cl)OCO4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Cl)OCO4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H22ClNO5/c1-14-22(25(29)30-12-15-6-3-2-4-7-15)23(24-18(27-14)8-5-9-19(24)28)16-10-20-21(11-17(16)26)32-13-31-20/h2-4,6-7,10-11,23,27H,5,8-9,12-13H2,1H3