methyl (2S)-3-[1-(4-methoxyphenyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[1-(4-methoxyphenyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoate CAS Name: (2S)-3-[1-(4-methoxyphenyl)-4-imidazolyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[1-(4-methoxyphenyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[1-(4-methoxyphenyl)imidazol-4-yl]propionic acid methyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(N=C2)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(N=C2)C[C@@H](C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5/c1-28-19-10-8-18(9-11-19)25-13-17(23-15-25)12-20(21(26)29-2)24-22(27)30-14-16-6-4-3-5-7-16/h3-11,13,15,20H,12,14H2,1-2H3,(H,24,27)/t20-/m0/s1