(1-cyanoindolizin-2-yl)methyl 4-[(aminocarbonylamino)methyl]benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-[(aminocarbonylamino)methyl]benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-(ureidomethyl)benzoate CAS Name: 4-[(carbamoylamino)methyl]benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-[(carbamoylamino)methyl]benzoate Traditional Name: 4-(ureidomethyl)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CC=C(C=C3)CNC(=O)N)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CC=C(C=C3)CNC(=O)N)C#N

InChI

InChI=1S/C19H16N4O3/c20-9-16-15(11-23-8-2-1-3-17(16)23)12-26-18(24)14-6-4-13(5-7-14)10-22-19(21)25/h1-8,11H,10,12H2,(H3,21,22,25)