2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-[(E)-3-tert-butoxy-3-oxo-prop-1-enyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC=CC=C2/C=C/C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C22H25NO6/c1-12-17(20(25)26)19(18(21(27)28)13(2)23-12)15-9-7-6-8-14(15)10-11-16(24)29-22(3,4)5/h6-11,19,23H,1-5H3,(H,25,26)(H,27,28)/b11-10+