(3R,4R)-3-[2-(4-methylcyclohexyl)oxypyrimidin-5-yl]-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3R,4R)-3-[2-(4-methylcyclohexyl)oxypyrimidin-5-yl]-1-oxidanylidene-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4R)-3-[2-(4-methylcyclohexoxy)pyrimidin-5-yl]-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4R)-3-[2-(4-methylcyclohexyl)oxy-5-pyrimidinyl]-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4R)-3-[2-(4-methylcyclohexyl)oxypyrimidin-5-yl]-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4R)-1-keto-3-[2-(4-methylcyclohexoxy)pyrimidin-5-yl]-2-propyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CN=C(N=C3)OC4CCC(CC4)C

Isomeric SMILES

CCCN1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)O)C3=CN=C(N=C3)OC4CCC(CC4)C

InChI

InChI=1S/C24H29N3O4/c1-3-12-27-21(20(23(29)30)18-6-4-5-7-19(18)22(27)28)16-13-25-24(26-14-16)31-17-10-8-15(2)9-11-17/h4-7,13-15,17,20-21H,3,8-12H2,1-2H3,(H,29,30)/t15?,17?,20-,21+/m1/s1