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

Systemtic Name: phenethyl 4-(6-chloranyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C26H24ClNO5 MolecularWeight: 465.92546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC4=C(C=C3Cl)OCO4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC4=C(C=C3Cl)OCO4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C26H24ClNO5/c1-15-23(26(30)31-11-10-16-6-3-2-4-7-16)24(25-19(28-15)8-5-9-20(25)29)17-12-21-22(13-18(17)27)33-14-32-21/h2-4,6-8,12-13,24-25,28H,5,9-11,14H2,1H3