ethyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hex-2-enoate

Systemtic Name: ethyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hex-2-enoate Openeye Name: ethyl (E)-6-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)hex-2-enoate CAS Name: (E)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hex-2-enoate Traditional Name: (E)-6-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)hex-2-enoic acid ethyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C/C(CCNC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N2O6/c1-5-27-18(24)12-11-17(23-20(26)29-21(2,3)4)13-14-22-19(25)28-15-16-9-7-6-8-10-16/h6-12,17H,5,13-15H2,1-4H3,(H,22,25)(H,23,26)/b12-11+