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

Systemtic Name: methyl (4S,7R)-4-(1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4S,7R)-4-(1,3-benzodioxol-5-yl)-7-(2-furyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(1,3-benzodioxol-5-yl)-7-(2-furanyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,7R)-4-(1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(1,3-benzodioxol-5-yl)-7-(2-furyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)C5=CC=CO5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=CC4=C(C=C3)OCO4)C(=O)C[C@@H](C2)C5=CC=CO5

InChI

InChI=1S/C23H21NO6/c1-12-20(23(26)27-2)21(13-5-6-18-19(10-13)30-11-29-18)22-15(24-12)8-14(9-16(22)25)17-4-3-7-28-17/h3-7,10,14,20-21H,8-9,11H2,1-2H3/t14-,20?,21-/m1/s1