ditert-butyl (4S)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl (4S)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl (4S)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (4S)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-(1H-pyrrol-2-yl)-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC(C)(C)C)C2=CC=CN2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OC(C)(C)C)C2=CC=CN2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H30N2O4/c1-12-15(18(24)26-20(3,4)5)17(14-10-9-11-22-14)16(13(2)23-12)19(25)27-21(6,7)8/h9-11,15,17,22H,1-8H3/t15?,17-/m0/s1