4-(3-azanyl-4-prop-2-enoxy-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(3-azanyl-4-prop-2-enoxy-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(4-allyloxy-3-amino-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(3-amino-4-prop-2-enoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(3-amino-4-prop-2-enoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(4-allyloxy-3-amino-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=C(C=C2)OCC=C)N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=C(C=C2)OCC=C)N)C(=O)O

InChI

InChI=1S/C18H20N2O5/c1-4-7-25-13-6-5-11(8-12(13)19)16-14(17(21)22)9(2)20-10(3)15(16)18(23)24/h4-6,8,16,20H,1,7,19H2,2-3H3,(H,21,22)(H,23,24)