4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-phenethyloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-phenethyloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-phenethyloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-[oxo(phenethyloxy)methyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-phenethyloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-benzofurazan-4-yl-2,6-dimethyl-5-phenethyloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=CC=C2)C3=CC=CC4=NON=C43)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=CC=C2)C3=CC=CC4=NON=C43)C(=O)O

InChI

InChI=1S/C23H21N3O5/c1-13-18(22(27)28)20(16-9-6-10-17-21(16)26-31-25-17)19(14(2)24-13)23(29)30-12-11-15-7-4-3-5-8-15/h3-10,20,24H,11-12H2,1-2H3,(H,27,28)