(phenylmethyl) (E,5S)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-oct-2-enoate

Systemtic Name: (phenylmethyl) (E,5S)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-oct-2-enoate Openeye Name: benzyl (E,5S)-5-(tert-butoxycarbonylamino)-7-methyl-4-oxo-oct-2-enoate CAS Name: (E,5S)-7-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-2-octenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,5S)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxooct-2-enoate Traditional Name: (E,5S)-5-(tert-butoxycarbonylamino)-4-keto-7-methyl-oct-2-enoic acid benzyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(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/c1-15(2)13-17(22-20(25)27-21(3,4)5)18(23)11-12-19(24)26-14-16-9-7-6-8-10-16/h6-12,15,17H,13-14H2,1-5H3,(H,22,25)/b12-11+/t17-/m0/s1