propyl (4R,4aR)-4-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: propyl (4R,4aR)-4-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: propyl (4R,4aR)-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,4aR)-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4R,4aR)-4-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,4aR)-5-keto-4-(2-methoxyphenyl)-2-methyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(C2C(=O)CCC=C2N=C1C)C3=CC=CC=C3OC

Isomeric SMILES

CCCOC(=O)C1[C@@H]([C@H]2C(=O)CCC=C2N=C1C)C3=CC=CC=C3OC

InChI

InChI=1S/C21H25NO4/c1-4-12-26-21(24)18-13(2)22-15-9-7-10-16(23)20(15)19(18)14-8-5-6-11-17(14)25-3/h5-6,8-9,11,18-20H,4,7,10,12H2,1-3H3/t18?,19-,20+/m0/s1