ditert-butyl (4S)-2,6-dimethyl-4-phenethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl (4S)-2,6-dimethyl-4-phenethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl (4S)-2,6-dimethyl-4-phenethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-phenethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (4S)-2,6-dimethyl-4-phenethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-phenethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C25H35NO4 MolecularWeight: 413.5497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC(C)(C)C)CCC2=CC=CC=C2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OC(C)(C)C)CCC2=CC=CC=C2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H35NO4/c1-16-20(22(27)29-24(3,4)5)19(15-14-18-12-10-9-11-13-18)21(17(2)26-16)23(28)30-25(6,7)8/h9-13,19-20H,14-15H2,1-8H3/t19-,20?/m0/s1