methyl 3-[[(E)-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 3-[[(E)-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 3-[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-1-oxo-3-[4-(2-oxo-1-pyrrolidinyl)phenyl]prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-3-[4-(2-ketopyrrolidino)phenyl]acryloyl]amino]benzoic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C=CC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C21H20N2O4/c1-27-21(26)16-4-2-5-17(14-16)22-19(24)12-9-15-7-10-18(11-8-15)23-13-3-6-20(23)25/h2,4-5,7-12,14H,3,6,13H2,1H3,(H,22,24)/b12-9+