4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]oxybenzoic acid

Systemtic Name: 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]oxybenzoic acid Openeye Name: 4-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]oxybenzoic acid CAS Name: 4-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropoxy]benzoic acid IUPAC Name: 4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxybenzoic acid Traditional Name: 4-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]oxybenzoic acid Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H23NO6/c1-21(2,3)28-20(26)22-17(13-14-7-5-4-6-8-14)19(25)27-16-11-9-15(10-12-16)18(23)24/h4-12,17H,13H2,1-3H3,(H,22,26)(H,23,24)/t17-/m0/s1