ditert-butyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 4-(4-benzyloxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(4-benzoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C30H37NO5 MolecularWeight: 491.61848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H37NO5/c1-19-24(27(32)35-29(3,4)5)26(25(20(2)31-19)28(33)36-30(6,7)8)22-14-16-23(17-15-22)34-18-21-12-10-9-11-13-21/h9-17,26,31H,18H2,1-8H3