ethyl (3R,4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: ethyl (3R,4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (3R,4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (3R,4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (3R,4R)-5-keto-2-methyl-4-p-phenetyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=NC3=C2C(=O)CCC3)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2[C@H](C(=NC3=C2C(=O)CCC3)C)C(=O)OCC

InChI

InChI=1S/C21H25NO4/c1-4-25-15-11-9-14(10-12-15)19-18(21(24)26-5-2)13(3)22-16-7-6-8-17(23)20(16)19/h9-12,18-19H,4-8H2,1-3H3/t18-,19-/m0/s1