methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: methyl (3S)-3-(4-benzyloxyphenyl)-3-(tert-butoxycarbonylamino)propanoate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (3S)-3-(4-benzoxyphenyl)-3-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-22(2,3)28-21(25)23-19(14-20(24)26-4)17-10-12-18(13-11-17)27-15-16-8-6-5-7-9-16/h5-13,19H,14-15H2,1-4H3,(H,23,25)/t19-/m0/s1