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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C2=CC=CC=C2C1=O)C(=O)OC)C(C)C

Isomeric SMILES

CCN1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)OC)C(C)C

InChI

InChI=1S/C16H21NO3/c1-5-17-14(10(2)3)13(16(19)20-4)11-8-6-7-9-12(11)15(17)18/h6-10,13-14H,5H2,1-4H3/t13-,14+/m1/s1