(1,3,5-tritert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl) 2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (1,3,5-tritert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl) 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (1,3,5-tritert-butyl-6-oxo-cyclohexa-2,4-dien-1-yl) 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic acid (1,3,5-tritert-butyl-6-oxo-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (1,3,5-tritert-butyl-6-oxocyclohexa-2,4-dien-1-yl) 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid (1,3,5-tritert-butyl-6-keto-cyclohexa-2,4-dien-1-yl) ester Formula: C29H41NO5 MolecularWeight: 483.63954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1(C=C(C=C(C1=O)C(C)(C)C)C(C)(C)C)C(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC1(C=C(C=C(C1=O)C(C)(C)C)C(C)(C)C)C(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C29H41NO5/c1-19(30-25(33)34-18-20-14-12-11-13-15-20)24(32)35-29(28(8,9)10)17-21(26(2,3)4)16-22(23(29)31)27(5,6)7/h11-17,19H,18H2,1-10H3,(H,30,33)