(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenoxyphenyl)propanoate

Systemtic Name: (phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenoxyphenyl)propanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-3-(3-phenoxyphenyl)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(3-phenoxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenoxyphenyl)propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(3-phenoxyphenyl)propionic acid benzyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H29NO5/c1-27(2,3)33-26(30)28-24(25(29)31-19-20-11-6-4-7-12-20)18-21-13-10-16-23(17-21)32-22-14-8-5-9-15-22/h4-17,24H,18-19H2,1-3H3,(H,28,30)