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

Systemtic Name: phenethyl (4S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(1,3-benzodioxol-5-yl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)CCC2

InChI

InChI=1S/C26H25NO5/c1-16-23(26(29)30-13-12-17-6-3-2-4-7-17)24(25-19(27-16)8-5-9-20(25)28)18-10-11-21-22(14-18)32-15-31-21/h2-4,6-7,10-11,14,23-24H,5,8-9,12-13,15H2,1H3/t23?,24-/m1/s1