methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(phenylcarbonylcarbamoylamino)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(phenylcarbonylcarbamoylamino)phenyl]prop-2-enoate Openeye Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(benzoylcarbamoylamino)phenyl]prop-2-enoate CAS Name: (E)-2-(1-aziridinylmethyl)-3-[2-[[benzamido(oxo)methyl]amino]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(benzoylcarbamoylamino)phenyl]prop-2-enoate Traditional Name: (E)-3-[2-(benzoylcarbamoylamino)phenyl]-2-(ethyleniminomethyl)acrylic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1NC(=O)NC(=O)C2=CC=CC=C2)CN3CC3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-28-20(26)17(14-24-11-12-24)13-16-9-5-6-10-18(16)22-21(27)23-19(25)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H2,22,23,25,27)/b17-13+