3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]benzoic acid CAS Name: 3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]benzoic acid Traditional Name: 3-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]benzoic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C21H24N2O5/c1-21(2,3)28-20(27)23-17(12-14-8-5-4-6-9-14)18(24)22-16-11-7-10-15(13-16)19(25)26/h4-11,13,17H,12H2,1-3H3,(H,22,24)(H,23,27)(H,25,26)