phenethyl (4R)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: phenethyl (4R)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester Formula: C28H28BrNO5 MolecularWeight: 538.42962

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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)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC5=C(C=C4Br)OCO5)C(=O)CC(C2)(C)C

InChI

InChI=1S/C28H28BrNO5/c1-16-24(27(32)33-10-9-17-7-5-4-6-8-17)25(18-11-22-23(12-19(18)29)35-15-34-22)26-20(30-16)13-28(2,3)14-21(26)31/h4-8,11-12,24-25H,9-10,13-15H2,1-3H3/t24?,25-/m1/s1