(phenylmethyl) (E)-5-tert-butyl-6,6-dimethyl-2-(phenylmethoxycarbonylamino)hept-3-enoate

Systemtic Name: (phenylmethyl) (E)-5-tert-butyl-6,6-dimethyl-2-(phenylmethoxycarbonylamino)hept-3-enoate Openeye Name: benzyl (E)-2-(benzyloxycarbonylamino)-5-tert-butyl-6,6-dimethyl-hept-3-enoate CAS Name: (E)-5-tert-butyl-6,6-dimethyl-2-(phenylmethoxycarbonylamino)-3-heptenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-5-tert-butyl-6,6-dimethyl-2-(phenylmethoxycarbonylamino)hept-3-enoate Traditional Name: (E)-2-(benzyloxycarbonylamino)-5-tert-butyl-6,6-dimethyl-hept-3-enoic acid benzyl ester Formula: C28H37NO4 MolecularWeight: 451.59768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(/C=C/C(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C28H37NO4/c1-27(2,3)24(28(4,5)6)18-17-23(25(30)32-19-21-13-9-7-10-14-21)29-26(31)33-20-22-15-11-8-12-16-22/h7-18,23-24H,19-20H2,1-6H3,(H,29,31)/b18-17+