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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1(C=C(C(=O)C(=C1)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(=O)C(=C1)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)16-21(26(2,3)4)23(31)22(17-29)27(5,6)7/h11-17,19H,18H2,1-10H3,(H,30,33)