2-azanyl-3-[4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[[3-(tert-butoxycarbonylamino)phenyl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[3-(tert-butoxycarbonylamino)benzyl]oxyphenyl]propionic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)COC2=CC=C(C=C2)CC(C(=O)O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)COC2=CC=C(C=C2)CC(C(=O)O)N

InChI

InChI=1S/C21H26N2O5/c1-21(2,3)28-20(26)23-16-6-4-5-15(11-16)13-27-17-9-7-14(8-10-17)12-18(22)19(24)25/h4-11,18H,12-13,22H2,1-3H3,(H,23,26)(H,24,25)