4-[2-[(E)-3-octoxy-3-oxidanylidene-prop-1-enyl]phenyl]-1,4-dihydropyridine-2,6-dicarboxylic acid

Systemtic Name: 4-[2-[(E)-3-octoxy-3-oxidanylidene-prop-1-enyl]phenyl]-1,4-dihydropyridine-2,6-dicarboxylic acid Openeye Name: 4-[2-[(E)-3-octoxy-3-oxo-prop-1-enyl]phenyl]-1,4-dihydropyridine-2,6-dicarboxylic acid CAS Name: 4-[2-[(E)-3-octoxy-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-2,6-dicarboxylic acid IUPAC Name: 4-[2-[(E)-3-octoxy-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-2,6-dicarboxylic acid Traditional Name: 4-[2-[(E)-3-keto-3-octoxy-prop-1-enyl]phenyl]-1,4-dihydropyridine-2,6-dicarboxylic acid Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C=CC1=CC=CC=C1C2C=C(NC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)/C=C/C1=CC=CC=C1C2C=C(NC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C24H29NO6/c1-2-3-4-5-6-9-14-31-22(26)13-12-17-10-7-8-11-19(17)18-15-20(23(27)28)25-21(16-18)24(29)30/h7-8,10-13,15-16,18,25H,2-6,9,14H2,1H3,(H,27,28)(H,29,30)/b13-12+