(3S,4R)-2-ethyl-1-oxidanylidene-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-2-ethyl-1-oxidanylidene-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-ethyl-3-isopropyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-ethyl-1-oxo-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-ethyl-1-oxo-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-ethyl-3-isopropyl-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-4-16-13(9(2)3)12(15(18)19)10-7-5-6-8-11(10)14(16)17/h5-9,12-13H,4H2,1-3H3,(H,18,19)/t12-,13+/m1/s1