cyanomethyl (3S)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate

Systemtic Name: cyanomethyl (3S)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate Openeye Name: cyanomethyl (3S)-3-(3-phenoxyphenyl)-3-ureido-propanoate CAS Name: (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate Traditional Name: (3S)-3-(3-phenoxyphenyl)-3-ureido-propionic acid cyanomethyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CC(=O)OCC#N)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)[C@H](CC(=O)OCC#N)NC(=O)N

InChI

InChI=1S/C18H17N3O4/c19-9-10-24-17(22)12-16(21-18(20)23)13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-8,11,16H,10,12H2,(H3,20,21,23)/t16-/m0/s1