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

Systemtic Name: methyl (2S)-3-(3-methanoyl-4-methoxy-5-methyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(3-formyl-4-methoxy-5-methyl-phenyl)propanoate CAS Name: (2S)-3-(3-formyl-4-methoxy-5-methylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-formyl-4-methoxy-5-methylphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3-formyl-4-methoxy-5-methyl-phenyl)propionic acid methyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-14-9-16(10-17(12-23)19(14)26-2)11-18(20(24)27-3)22-21(25)28-13-15-7-5-4-6-8-15/h4-10,12,18H,11,13H2,1-3H3,(H,22,25)/t18-/m0/s1