methyl (2S)-3-(3-acetyloxy-4-methoxy-5-methyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(3-acetyloxy-4-methoxy-5-methyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-3-(3-acetoxy-4-methoxy-5-methyl-phenyl)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-(3-acetyloxy-4-methoxy-5-methylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-acetyloxy-4-methoxy-5-methylphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(3-acetoxy-4-methoxy-5-methyl-phenyl)-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC

InChI

InChI=1S/C22H25NO7/c1-14-10-17(12-19(20(14)27-3)30-15(2)24)11-18(21(25)28-4)23-22(26)29-13-16-8-6-5-7-9-16/h5-10,12,18H,11,13H2,1-4H3,(H,23,26)/t18-/m0/s1