4-[[(7R)-7-(4-methoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(7R)-7-(4-methoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(7R)-7-(4-methoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(7R)-7-(4-methoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(7R)-7-(4-methoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[(7R)-7-(4-methoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]butyric acid Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)NC(=O)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C=C(N=C3N2NC(=N3)NC(=O)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O4/c1-31-16-9-7-15(8-10-16)18-13-17(14-5-3-2-4-6-14)23-22-25-21(26-27(18)22)24-19(28)11-12-20(29)30/h2-10,13,18H,11-12H2,1H3,(H,29,30)(H2,23,24,25,26,28)/t18-/m1/s1