methyl (E)-3-[(4-aminophenyl)carbonylamino]-2-(2,2-dimethoxyethylcarbamoyl)prop-2-enoate

Systemtic Name: methyl (E)-3-[(4-aminophenyl)carbonylamino]-2-(2,2-dimethoxyethylcarbamoyl)prop-2-enoate Openeye Name: methyl (E)-3-[(4-aminobenzoyl)amino]-2-(2,2-dimethoxyethylcarbamoyl)prop-2-enoate CAS Name: (E)-3-[[(4-aminophenyl)-oxomethyl]amino]-2-[(2,2-dimethoxyethylamino)-oxomethyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(4-aminobenzoyl)amino]-2-(2,2-dimethoxyethylcarbamoyl)prop-2-enoate Traditional Name: (E)-3-[(4-aminobenzoyl)amino]-2-(2,2-dimethoxyethylcarbamoyl)acrylic acid methyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C(=CNC(=O)C1=CC=C(C=C1)N)C(=O)OC)OC

Isomeric SMILES

COC(CNC(=O)/C(=C\NC(=O)C1=CC=C(C=C1)N)/C(=O)OC)OC

InChI

InChI=1S/C16H21N3O6/c1-23-13(24-2)9-19-15(21)12(16(22)25-3)8-18-14(20)10-4-6-11(17)7-5-10/h4-8,13H,9,17H2,1-3H3,(H,18,20)(H,19,21)/b12-8+