5-(2,3-ditert-butylphenoxy)carbonyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 5-(2,3-ditert-butylphenoxy)carbonyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 5-(2,3-ditert-butylphenoxy)carbonyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[(2,3-ditert-butylphenoxy)-oxomethyl]-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-(2,3-ditert-butylphenoxy)carbonyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(2,3-ditert-butylphenoxy)carbonyl-1,4-dihydropyridine-3-carboxylate Formula: C21H26NO4- MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC=C1)OC(=O)C2=CNC=C(C2)C(=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C(=CC=C1)OC(=O)C2=CNC=C(C2)C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C21H27NO4/c1-20(2,3)15-8-7-9-16(17(15)21(4,5)6)26-19(25)14-10-13(18(23)24)11-22-12-14/h7-9,11-12,22H,10H2,1-6H3,(H,23,24)/p-1