ethyl (4S,4aR)-4-(3-methoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: ethyl (4S,4aR)-4-(3-methoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4S,4aR)-4-(3-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aR)-4-(3-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,4aR)-4-(3-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aR)-5-keto-4-(3-methoxyphenyl)-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC(=CC=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C20H23NO4/c1-4-25-20(23)17-12(2)21-15-9-6-10-16(22)19(15)18(17)13-7-5-8-14(11-13)24-3/h5,7-8,11,18-19H,4,6,9-10H2,1-3H3/t18-,19+/m0/s1