methyl (3S)-3-isocyanato-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: methyl (3S)-3-isocyanato-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: methyl (3S)-3-(4-benzyloxyphenyl)-3-isocyanato-propanoate CAS Name: (3S)-3-isocyanato-3-(4-phenylmethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-isocyanato-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (3S)-3-(4-benzoxyphenyl)-3-isocyanato-propionic acid methyl ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)N=C=O

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=C(C=C1)OCC2=CC=CC=C2)N=C=O

InChI

InChI=1S/C18H17NO4/c1-22-18(21)11-17(19-13-20)15-7-9-16(10-8-15)23-12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1