tert-butyl (3S)-5-(acetyloxymethyl)-1-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3,4-dihydropyridine-6-carboxylate

Systemtic Name: tert-butyl (3S)-5-(acetyloxymethyl)-1-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3,4-dihydropyridine-6-carboxylate Openeye Name: tert-butyl (3S)-5-(acetoxymethyl)-3-(benzyloxycarbonylamino)-1-methyl-2-oxo-3,4-dihydropyridine-6-carboxylate CAS Name: (3S)-5-(acetyloxymethyl)-1-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3,4-dihydropyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-5-(acetyloxymethyl)-1-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3,4-dihydropyridine-6-carboxylate Traditional Name: (3S)-5-(acetoxymethyl)-3-(benzyloxycarbonylamino)-2-keto-1-methyl-3,4-dihydropyridine-6-carboxylic acid tert-butyl ester Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N(C(=O)C(C1)NC(=O)OCC2=CC=CC=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OCC1=C(N(C(=O)[C@H](C1)NC(=O)OCC2=CC=CC=C2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N2O7/c1-14(25)29-13-16-11-17(23-21(28)30-12-15-9-7-6-8-10-15)19(26)24(5)18(16)20(27)31-22(2,3)4/h6-10,17H,11-13H2,1-5H3,(H,23,28)/t17-/m0/s1