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

Systemtic Name: (3R,4R)-2-ethyl-1-oxidanylidene-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-2-ethyl-1-oxo-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4R)-2-ethyl-1-oxo-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-2-ethyl-1-oxo-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-2-ethyl-1-keto-3-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C24H21NO4 MolecularWeight: 387.42784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H21NO4/c1-2-25-22(21(24(27)28)19-10-6-7-11-20(19)23(25)26)16-12-14-18(15-13-16)29-17-8-4-3-5-9-17/h3-15,21-22H,2H2,1H3,(H,27,28)/t21-,22+/m1/s1