methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-oxidanyl-benzoate

Systemtic Name: methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-oxidanyl-benzoate Openeye Name: methyl 4-[[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-hydroxy-benzoate CAS Name: 3-hydroxy-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate Traditional Name: 4-[[3-(4-benzoxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-hydroxy-benzoic acid methyl ester Formula: C29H32N2O7 MolecularWeight: 520.57358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)C(=O)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C29H32N2O7/c1-29(2,3)38-28(35)31-24(26(33)30-23-15-12-21(17-25(23)32)27(34)36-4)16-19-10-13-22(14-11-19)37-18-20-8-6-5-7-9-20/h5-15,17,24,32H,16,18H2,1-4H3,(H,30,33)(H,31,35)