dimethyl (4S)-4-[5-(3-bromophenyl)furan-2-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl (4S)-4-[5-(3-bromophenyl)furan-2-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl (4S)-4-[5-(3-bromophenyl)-2-furyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-[5-(3-bromophenyl)-2-furanyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S)-4-[5-(3-bromophenyl)furan-2-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-[5-(3-bromophenyl)-2-furyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C2=CC=C(O2)C3=CC(=CC=C3)Br)C(=O)OC)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OC)C2=CC=C(O2)C3=CC(=CC=C3)Br)C(=O)OC)C

InChI

InChI=1S/C21H20BrNO5/c1-11-17(20(24)26-3)19(18(12(2)23-11)21(25)27-4)16-9-8-15(28-16)13-6-5-7-14(22)10-13/h5-10,17,19H,1-4H3/t17?,19-/m0/s1