2-[6-(4-azanyl-7,7-dimethyl-pyrano[2,3-d]pyrimidin-6-yl)spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl]ethanoic acid

Systemtic Name: 2-[6-(4-azanyl-7,7-dimethyl-pyrano[2,3-d]pyrimidin-6-yl)spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl]ethanoic acid Openeye Name: 2-[5'-(4-amino-7,7-dimethyl-pyrano[2,3-d]pyrimidin-6-yl)spiro[cyclohexane-4,1'-indane]-1-yl]acetic acid CAS Name: 2-[6-(4-amino-7,7-dimethyl-6-pyrano[2,3-d]pyrimidinyl)-1'-spiro[1,2-dihydroindene-3,4'-cyclohexane]yl]acetic acid IUPAC Name: 2-[6-(4-amino-7,7-dimethylpyrano[2,3-d]pyrimidin-6-yl)spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-yl]acetic acid Traditional Name: 2-[5'-(4-amino-7,7-dimethyl-pyrano[2,3-d]pyrimidin-6-yl)spiro[cyclohexane-4,1'-indane]-1-yl]acetic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC2=C(N=CN=C2O1)N)C3=CC4=C(C=C3)C5(CCC(CC5)CC(=O)O)CC4)C

Isomeric SMILES

CC1(C(=CC2=C(N=CN=C2O1)N)C3=CC4=C(C=C3)C5(CCC(CC5)CC(=O)O)CC4)C

InChI

InChI=1S/C25H29N3O3/c1-24(2)20(13-18-22(26)27-14-28-23(18)31-24)16-3-4-19-17(12-16)7-10-25(19)8-5-15(6-9-25)11-21(29)30/h3-4,12-15H,5-11H2,1-2H3,(H,29,30)(H2,26,27,28)