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

Systemtic Name: phenethyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-4-(6-bromo-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-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C26H24BrNO5 MolecularWeight: 510.37646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)CCC2

InChI

InChI=1S/C26H24BrNO5/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/h2-4,6-7,12-13,23-24H,5,8-11,14H2,1H3/t23?,24-/m0/s1