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

Systemtic Name: 2,6-dimethyl-4-[2-[(E)-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-[(E)-3-isopropoxy-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-oxo-3-propan-2-yloxyprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-dimethyl-4-[2-[(E)-3-oxo-3-propan-2-yloxyprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-[(E)-3-isopropoxy-3-keto-prop-1-enyl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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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(=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(=O)O

InChI

InChI=1S/C21H23NO6/c1-11(2)28-16(23)10-9-14-7-5-6-8-15(14)19-17(20(24)25)12(3)22-13(4)18(19)21(26)27/h5-11,19,22H,1-4H3,(H,24,25)(H,26,27)/b10-9+