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

Systemtic Name: 4-(3-ethynylphenyl)-2,6-dimethyl-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-ethynylphenyl)-5-isopropoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-ethynylphenyl)-2,6-dimethyl-5-[oxo(propan-2-yloxy)methyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-ethynylphenyl)-2,6-dimethyl-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(3-ethynylphenyl)-5-isopropoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4/c1-6-14-8-7-9-15(10-14)18-16(19(22)23)12(4)21-13(5)17(18)20(24)25-11(2)3/h1,7-11,18,21H,2-5H3,(H,22,23)