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

Systemtic Name: diethyl 2-azanyl-4-(3-ethynylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC(=C2)C#C)C(=O)OCC)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC(=C2)C#C)C(=O)OCC)N)C

InChI

InChI=1S/C20H22N2O4/c1-5-13-9-8-10-14(11-13)16-15(19(23)25-6-2)12(4)22-18(21)17(16)20(24)26-7-3/h1,8-11,16,22H,6-7,21H2,2-4H3