dimethyl 2-azanyl-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-azanyl-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 2-amino-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-amino-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-amino-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amino-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)N)C(=O)OC)C2=CC=CC(=C2)C#C)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)N)C(=O)OC)C2=CC=CC(=C2)C#C)C(=O)OC

InChI

InChI=1S/C18H18N2O4/c1-5-11-7-6-8-12(9-11)14-13(17(21)23-3)10(2)20-16(19)15(14)18(22)24-4/h1,6-9,14,20H,19H2,2-4H3