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

Systemtic Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(phenylcarbamoylamino)phenyl]prop-2-enoate Openeye Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(phenylcarbamoylamino)phenyl]prop-2-enoate CAS Name: (E)-3-[2-[[anilino(oxo)methyl]amino]phenyl]-2-(1-aziridinylmethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(aziridin-1-ylmethyl)-3-[2-(phenylcarbamoylamino)phenyl]prop-2-enoate Traditional Name: (E)-2-(ethyleniminomethyl)-3-[2-(phenylcarbamoylamino)phenyl]acrylic acid methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-26-19(24)16(14-23-11-12-23)13-15-7-5-6-10-18(15)22-20(25)21-17-8-3-2-4-9-17/h2-10,13H,11-12,14H2,1H3,(H2,21,22,25)/b16-13+