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

Systemtic Name: (3S,4R)-3-(4-dimethylaminophenyl)-1-oxidanylidene-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-3-(4-dimethylaminophenyl)-2-isopropyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(4-dimethylaminophenyl)-1-oxo-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-3-(4-dimethylaminophenyl)-1-oxo-2-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-3-(4-dimethylaminophenyl)-2-isopropyl-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-13(2)23-19(14-9-11-15(12-10-14)22(3)4)18(21(25)26)16-7-5-6-8-17(16)20(23)24/h5-13,18-19H,1-4H3,(H,25,26)/t18-,19-/m1/s1