methyl (2S)-3-[4-methoxy-3-(methoxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[4-methoxy-3-(methoxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[4-methoxy-3-(methoxymethyl)phenyl]propanoate CAS Name: (2S)-3-[4-methoxy-3-(methoxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-methoxy-3-(methoxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-methoxy-3-(methoxymethyl)phenyl]propionic acid methyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=CC(=C1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

COCC1=C(C=CC(=C1)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25NO6/c1-25-14-17-11-16(9-10-19(17)26-2)12-18(20(23)27-3)22-21(24)28-13-15-7-5-4-6-8-15/h4-11,18H,12-14H2,1-3H3,(H,22,24)/t18-/m0/s1