(Z)-2-[2-(2-azanyl-2-pyrazol-1-yl-propyl)-7-methoxy-4,4-dimethyl-1-oxidanyl-1H-inden-2-yl]but-2-enedioic acid

Systemtic Name: (Z)-2-[2-(2-azanyl-2-pyrazol-1-yl-propyl)-7-methoxy-4,4-dimethyl-1-oxidanyl-1H-inden-2-yl]but-2-enedioic acid Openeye Name: (Z)-2-[2-(2-amino-2-pyrazol-1-yl-propyl)-1-hydroxy-7-methoxy-4,4-dimethyl-1H-inden-2-yl]but-2-enedioic acid CAS Name: (Z)-2-[2-[2-amino-2-(1-pyrazolyl)propyl]-1-hydroxy-7-methoxy-4,4-dimethyl-1H-inden-2-yl]-2-butenedioic acid IUPAC Name: (Z)-2-[2-(2-amino-2-pyrazol-1-ylpropyl)-1-hydroxy-7-methoxy-4,4-dimethyl-1H-inden-2-yl]but-2-enedioic acid Traditional Name: (Z)-2-[2-(2-amino-2-pyrazol-1-yl-propyl)-1-hydroxy-7-methoxy-4,4-dimethyl-1H-inden-2-yl]but-2-enedioic acid Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=C2C1=CC(C2O)(CC(C)(N)N3C=CC=N3)C(=CC(=O)O)C(=O)O)OC)C

Isomeric SMILES

CC1(C=CC(=C2C1=CC(C2O)(CC(C)(N)N3C=CC=N3)/C(=C/C(=O)O)/C(=O)O)OC)C

InChI

InChI=1S/C22H27N3O6/c1-20(2)7-6-15(31-4)17-14(20)11-22(18(17)28,13(19(29)30)10-16(26)27)12-21(3,23)25-9-5-8-24-25/h5-11,18,28H,12,23H2,1-4H3,(H,26,27)(H,29,30)/b13-10+