(phenylmethyl) 2-[[2-(2-azanylethyl)-1,3-oxazol-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[2-(2-azanylethyl)-1,3-oxazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[2-(2-aminoethyl)oxazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-(2-aminoethyl)-4-oxazolyl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(2-aminoethyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(2-aminoethyl)oxazole-4-carbonyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C3=COC(=N3)CCN

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C3=COC(=N3)CCN

InChI

InChI=1S/C22H23N3O4/c23-12-11-20-24-19(15-28-20)21(26)25-18(13-16-7-3-1-4-8-16)22(27)29-14-17-9-5-2-6-10-17/h1-10,15,18H,11-14,23H2,(H,25,26)