4-[(E)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[4-(tert-butoxycarbonylamino)phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[4-(tert-butoxycarbonylamino)phenyl]-3-keto-prop-1-enyl]benzoic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H21NO5/c1-21(2,3)27-20(26)22-17-11-9-15(10-12-17)18(23)13-6-14-4-7-16(8-5-14)19(24)25/h4-13H,1-3H3,(H,22,26)(H,24,25)/b13-6+