O3,O5-diethyl O4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O3,O5-diethyl O4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O3,O5-diethyl O4-[2-(isopentylamino)-2-oxo-ethyl] (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-diethyl ester O4-[2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: 3-O,5-O-diethyl 4-O-[2-(3-methylbutylamino)-2-oxoethyl] (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-diethyl ester O4-[2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H32N2O7 MolecularWeight: 424.48798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CCOC(=O)C1[C@H](C(=C(N=C1C)C)C(=O)OCC)C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C21H32N2O7/c1-7-28-19(25)16-13(5)23-14(6)17(20(26)29-8-2)18(16)21(27)30-11-15(24)22-10-9-12(3)4/h12,16,18H,7-11H2,1-6H3,(H,22,24)/t16?,18-/m1/s1