methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-[(4-fluorophenyl)carbamoylamino]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-[(4-fluorophenyl)carbamoylamino]phenyl]prop-2-enoate Openeye Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-[(4-fluorophenyl)carbamoylamino]phenyl]prop-2-enoate CAS Name: (E)-2-(1-aziridinylmethyl)-3-[2-[[(4-fluoroanilino)-oxomethyl]amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-[(4-fluorophenyl)carbamoylamino]phenyl]prop-2-enoate Traditional Name: (E)-2-(ethyleniminomethyl)-3-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acrylic acid methyl ester Formula: C20H20FN3O3 MolecularWeight: 369.389503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)F)CN3CC3

Isomeric SMILES

COC(=O)/C(=C/C1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)F)/CN3CC3

InChI

InChI=1S/C20H20FN3O3/c1-27-19(25)15(13-24-10-11-24)12-14-4-2-3-5-18(14)23-20(26)22-17-8-6-16(21)7-9-17/h2-9,12H,10-11,13H2,1H3,(H2,22,23,26)/b15-12+