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

Systemtic Name: ditert-butyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 4-[5-(3-chlorophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[5-(3-chlorophenyl)-2-furanyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[5-(3-chlorophenyl)-2-furyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C27H32ClNO5 MolecularWeight: 485.99968

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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(O2)C3=CC(=CC=C3)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=C(O2)C3=CC(=CC=C3)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H32ClNO5/c1-15-21(24(30)33-26(3,4)5)23(22(16(2)29-15)25(31)34-27(6,7)8)20-13-12-19(32-20)17-10-9-11-18(28)14-17/h9-14,23,29H,1-8H3