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

Systemtic Name: ditert-butyl (4S)-2,6-dimethyl-4-(4-phenylphenyl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl (4S)-2,6-dimethyl-4-(4-phenylphenyl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-(4-phenylphenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (4S)-2,6-dimethyl-4-(4-phenylphenyl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-(4-phenylphenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C29H35NO4/c1-18-23(26(31)33-28(3,4)5)25(24(19(2)30-18)27(32)34-29(6,7)8)22-16-14-21(15-17-22)20-12-10-9-11-13-20/h9-17,23,25H,1-8H3/t23?,25-/m1/s1