(phenylmethyl) (E,5S)-6,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-hept-2-enoate

Systemtic Name: (phenylmethyl) (E,5S)-6,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-hept-2-enoate Openeye Name: benzyl (E,5S)-5-(tert-butoxycarbonylamino)-6,6-dimethyl-4-oxo-hept-2-enoate CAS Name: (E,5S)-6,6-dimethyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-2-heptenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,5S)-6,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohept-2-enoate Traditional Name: (E,5S)-5-(tert-butoxycarbonylamino)-4-keto-6,6-dimethyl-hept-2-enoic acid benzyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)C=CC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)/C=C/C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO5/c1-20(2,3)18(22-19(25)27-21(4,5)6)16(23)12-13-17(24)26-14-15-10-8-7-9-11-15/h7-13,18H,14H2,1-6H3,(H,22,25)/b13-12+/t18-/m1/s1