methyl (3S,4R)-2-ethyl-1-oxidanylidene-3-propyl-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: methyl (3S,4R)-2-ethyl-1-oxidanylidene-3-propyl-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: methyl (3S,4R)-2-ethyl-1-oxo-3-propyl-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-2-ethyl-1-oxo-3-propyl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-2-ethyl-1-oxo-3-propyl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-2-ethyl-1-keto-3-propyl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C2=CC=CC=C2C(=O)N1CC)C(=O)OC

Isomeric SMILES

CCC[C@H]1[C@@H](C2=CC=CC=C2C(=O)N1CC)C(=O)OC

InChI

InChI=1S/C16H21NO3/c1-4-8-13-14(16(19)20-3)11-9-6-7-10-12(11)15(18)17(13)5-2/h6-7,9-10,13-14H,4-5,8H2,1-3H3/t13-,14+/m0/s1