(2S)-3-[4-[2-(1,5-dimethyl-7-oxidanylidene-3-propyl-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-phenoxy-propanoic acid

Systemtic Name: (2S)-3-[4-[2-(1,5-dimethyl-7-oxidanylidene-3-propyl-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-phenoxy-propanoic acid Openeye Name: (2S)-3-[4-[2-(1,5-dimethyl-7-oxo-3-propyl-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-phenoxy-propanoic acid CAS Name: (2S)-3-[4-[2-(1,5-dimethyl-7-oxo-3-propyl-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-phenoxypropanoic acid IUPAC Name: (2S)-3-[4-[2-(1,5-dimethyl-7-oxo-3-propyl-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-phenoxypropanoic acid Traditional Name: (2S)-3-[4-[2-(7-keto-1,5-dimethyl-3-propyl-3a,7a-dihydropyrazolo[4,3-d]pyrimidin-6-yl)ethoxy]phenyl]-2-phenoxy-propionic acid Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2C1N=C(N(C2=O)CCOC3=CC=C(C=C3)CC(C(=O)O)OC4=CC=CC=C4)C)C

Isomeric SMILES

CCCC1=NN(C2C1N=C(N(C2=O)CCOC3=CC=C(C=C3)C[C@@H](C(=O)O)OC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H32N4O5/c1-4-8-22-24-25(30(3)29-22)26(32)31(18(2)28-24)15-16-35-20-13-11-19(12-14-20)17-23(27(33)34)36-21-9-6-5-7-10-21/h5-7,9-14,23-25H,4,8,15-17H2,1-3H3,(H,33,34)/t23-,24?,25?/m0/s1