(phenylmethyl) (2S)-3-cyclohexa-2,4-dien-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-cyclohexa-2,4-dien-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-3-cyclohexa-2,4-dien-1-yl-propanoate CAS Name: (2S)-3-(1-cyclohexa-2,4-dienyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-cyclohexa-2,4-dien-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-cyclohexa-2,4-dien-1-yl-propionic acid benzyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4/c1-21(2,3)26-20(24)22-18(14-16-10-6-4-7-11-16)19(23)25-15-17-12-8-5-9-13-17/h4-10,12-13,16,18H,11,14-15H2,1-3H3,(H,22,24)/t16?,18-/m0/s1