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

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[4-(propan-2-ylcarbamoylamino)phenyl]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(isopropylcarbamoylamino)phenyl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[4-(propan-2-ylcarbamoylamino)phenyl]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[4-(isopropylcarbamoylamino)phenyl]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-14(2)22-21(26)23-18-11-9-16(10-12-18)19(24)13-6-15-4-7-17(8-5-15)20(25)27-3/h4-14H,1-3H3,(H2,22,23,26)/b13-6+