ethyl 3-[4-[acetamido-[(4-cyanophenyl)carbamoyl]amino]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[acetamido-[(4-cyanophenyl)carbamoyl]amino]phenyl]propanoate Openeye Name: ethyl 3-[4-[acetamido-[(4-cyanophenyl)carbamoyl]amino]phenyl]propanoate CAS Name: 3-[4-[acetamido-[(4-cyanoanilino)-oxomethyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[acetamido-[(4-cyanophenyl)carbamoyl]amino]phenyl]propanoate Traditional Name: 3-[4-[acetamido-[(4-cyanophenyl)carbamoyl]amino]phenyl]propionic acid ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)N(C(=O)NC2=CC=C(C=C2)C#N)NC(=O)C

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)N(C(=O)NC2=CC=C(C=C2)C#N)NC(=O)C

InChI

InChI=1S/C21H22N4O4/c1-3-29-20(27)13-8-16-6-11-19(12-7-16)25(24-15(2)26)21(28)23-18-9-4-17(14-22)5-10-18/h4-7,9-12H,3,8,13H2,1-2H3,(H,23,28)(H,24,26)