(3R,4R)-2-methyl-1-oxidanylidene-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3R,4R)-2-methyl-1-oxidanylidene-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-2-methyl-1-oxo-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4R)-2-methyl-1-oxo-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-2-methyl-1-oxo-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-1-keto-2-methyl-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H19NO4 MolecularWeight: 373.40126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H19NO4/c1-24-21(20(23(26)27)18-9-5-6-10-19(18)22(24)25)15-11-13-17(14-12-15)28-16-7-3-2-4-8-16/h2-14,20-21H,1H3,(H,26,27)/t20-,21+/m1/s1