5-ethoxycarbonyl-4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-ethoxycarbonyl-4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO4/c1-5-13-8-7-9-14(10-13)17-15(18(21)22)11(3)20-12(4)16(17)19(23)24-6-2/h1,7-10,17,20H,6H2,2-4H3,(H,21,22)