O3-methyl O5-propan-2-yl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-propan-2-yl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-isopropyl O3-methyl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester IUPAC Name: 3-O-methyl 5-O-propan-2-yl 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-ethynylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-isopropyl ester O3-methyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-7-15-9-8-10-16(11-15)19-17(20(23)25-6)13(4)22-14(5)18(19)21(24)26-12(2)3/h1,8-12,19,22H,2-6H3