ditert-butyl 2,6-dimethyl-4-[4-(4-oxidanylidenechromen-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl 2,6-dimethyl-4-[4-(4-oxidanylidenechromen-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 2,6-dimethyl-4-[4-(4-oxochromen-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[4-(4-oxo-1-benzopyran-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,6-dimethyl-4-[4-(4-oxochromen-2-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[4-(4-ketochromen-2-yl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C32H35NO6 MolecularWeight: 529.6234

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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)C3=CC(=O)C4=CC=CC=C4O3)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)C3=CC(=O)C4=CC=CC=C4O3)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H35NO6/c1-18-26(29(35)38-31(3,4)5)28(27(19(2)33-18)30(36)39-32(6,7)8)21-15-13-20(14-16-21)25-17-23(34)22-11-9-10-12-24(22)37-25/h9-17,28,33H,1-8H3