4-[(E)-3-oxidanylidene-3-[4-(propan-2-ylcarbamoylamino)phenyl]prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-oxidanylidene-3-[4-(propan-2-ylcarbamoylamino)phenyl]prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-3-[4-(isopropylcarbamoylamino)phenyl]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-3-oxo-3-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-3-oxo-3-[4-(propan-2-ylcarbamoylamino)phenyl]prop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[4-(isopropylcarbamoylamino)phenyl]-3-keto-prop-1-enyl]benzoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-13(2)21-20(26)22-17-10-8-15(9-11-17)18(23)12-5-14-3-6-16(7-4-14)19(24)25/h3-13H,1-2H3,(H,24,25)(H2,21,22,26)/b12-5+