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

Systemtic Name: methyl (3S,4R)-4-(2-butoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (3S,4R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (3S,4R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (3S,4R)-4-(2-butoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C(C(=NC3=C2C(=O)CCC3)C)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H]2[C@@H](C(=NC3=C2C(=O)CCC3)C)C(=O)OC

InChI

InChI=1S/C22H27NO4/c1-4-5-13-27-18-12-7-6-9-15(18)20-19(22(25)26-3)14(2)23-16-10-8-11-17(24)21(16)20/h6-7,9,12,19-20H,4-5,8,10-11,13H2,1-3H3/t19-,20+/m1/s1