methyl (2R,4S)-2-(4-oxidanylidenepentyl)-1,2,3,4-tetrahydroquinoline-4-carboxylate

Systemtic Name: methyl (2R,4S)-2-(4-oxidanylidenepentyl)-1,2,3,4-tetrahydroquinoline-4-carboxylate Openeye Name: methyl (2R,4S)-2-(4-oxopentyl)-1,2,3,4-tetrahydroquinoline-4-carboxylate CAS Name: (2R,4S)-2-(4-oxopentyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-2-(4-oxopentyl)-1,2,3,4-tetrahydroquinoline-4-carboxylate Traditional Name: (2R,4S)-2-(4-ketopentyl)-1,2,3,4-tetrahydroquinoline-4-carboxylic acid methyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC1CC(C2=CC=CC=C2N1)C(=O)OC

Isomeric SMILES

CC(=O)CCC[C@@H]1C[C@@H](C2=CC=CC=C2N1)C(=O)OC

InChI

InChI=1S/C16H21NO3/c1-11(18)6-5-7-12-10-14(16(19)20-2)13-8-3-4-9-15(13)17-12/h3-4,8-9,12,14,17H,5-7,10H2,1-2H3/t12-,14+/m1/s1