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

Systemtic Name: (3S,4R)-1-oxidanylidene-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-isopropyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-1-oxo-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-1-oxo-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-isopropyl-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H19NO3 MolecularWeight: 309.35906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1[C@@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO3/c1-12(2)20-17(13-8-4-3-5-9-13)16(19(22)23)14-10-6-7-11-15(14)18(20)21/h3-12,16-17H,1-2H3,(H,22,23)/t16-,17-/m1/s1