ditert-butyl (4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl (4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl (4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC(C)(C)C)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC(C)(C)C)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C24H31NO6/c1-13-18(21(26)30-23(3,4)5)20(15-9-10-16-17(11-15)29-12-28-16)19(14(2)25-13)22(27)31-24(6,7)8/h9-11,18,20H,12H2,1-8H3/t18?,20-/m1/s1