(2-cyanophenyl)methyl (3S)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate

Systemtic Name: (2-cyanophenyl)methyl (3S)-3-(aminocarbonylamino)-3-(3-phenoxyphenyl)propanoate Openeye Name: (2-cyanophenyl)methyl (3S)-3-(3-phenoxyphenyl)-3-ureido-propanoate CAS Name: (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl (3S)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate Traditional Name: (3S)-3-(3-phenoxyphenyl)-3-ureido-propionic acid (2-cyanobenzyl) ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CC(=O)OCC3=CC=CC=C3C#N)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)[C@H](CC(=O)OCC3=CC=CC=C3C#N)NC(=O)N

InChI

InChI=1S/C24H21N3O4/c25-15-18-7-4-5-8-19(18)16-30-23(28)14-22(27-24(26)29)17-9-6-12-21(13-17)31-20-10-2-1-3-11-20/h1-13,22H,14,16H2,(H3,26,27,29)/t22-/m0/s1