methyl 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(2S)-2-(4-cyanophenoxy)-1-oxopropoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(2S)-2-(4-cyanophenoxy)propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C(C)OC3=CC=C(C=C3)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)[C@H](C)OC3=CC=C(C=C3)C#N)C(=O)OC

InChI

InChI=1S/C23H20N2O5/c1-14-18-6-4-5-7-19(18)25-20(21(14)23(27)28-3)13-29-22(26)15(2)30-17-10-8-16(12-24)9-11-17/h4-11,15H,13H2,1-3H3/t15-/m0/s1