O1-tert-butyl O2-ethyl (2R,3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2-(phenylmethyl)azepane-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl (2R,3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2-(phenylmethyl)azepane-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl (2R,3S)-2-benzyl-3-(2-tert-butoxy-2-oxo-ethyl)azepane-1,2-dicarboxylate CAS Name: (2R,3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-(phenylmethyl)azepane-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2R,3S)-2-benzyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azepane-1,2-dicarboxylate Traditional Name: (2R,3S)-2-benzyl-3-(2-tert-butoxy-2-keto-ethyl)azepane-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C27H41NO6 MolecularWeight: 475.61754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CCCCN1C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@]1([C@@H](CCCCN1C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C27H41NO6/c1-8-32-23(30)27(19-20-14-10-9-11-15-20)21(18-22(29)33-25(2,3)4)16-12-13-17-28(27)24(31)34-26(5,6)7/h9-11,14-15,21H,8,12-13,16-19H2,1-7H3/t21-,27+/m0/s1