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

Systemtic Name: ethyl (3R,4R)-4-(2-butoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (3R,4R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (3R,4R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-4-(2-butoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (3R,4R)-4-(2-butoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4/c1-4-6-14-28-19-13-8-7-10-16(19)21-20(23(26)27-5-2)15(3)24-17-11-9-12-18(25)22(17)21/h7-8,10,13,20-21H,4-6,9,11-12,14H2,1-3H3/t20-,21-/m0/s1