methyl 2-[[(1S)-cyclohex-3-en-1-yl]carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(1S)-cyclohex-3-en-1-yl]carbonyloxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(1S)-cyclohex-3-ene-1-carbonyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[(1S)-1-cyclohex-3-enyl]-oxomethoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(1S)-cyclohex-3-ene-1-carbonyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(1S)-cyclohex-3-ene-1-carbonyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3CCC=CC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)[C@H]3CCC=CC3)C(=O)OC

InChI

InChI=1S/C20H21NO4/c1-13-15-10-6-7-11-16(15)21-17(18(13)20(23)24-2)12-25-19(22)14-8-4-3-5-9-14/h3-4,6-7,10-11,14H,5,8-9,12H2,1-2H3/t14-/m1/s1