methyl (2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: methyl (2S)-3-(4-benzyloxyphenyl)-2-(butanoylamino)propanoate CAS Name: (2S)-2-(1-oxobutylamino)-3-(4-phenylmethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-butyramido-propionic acid methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-3-7-20(23)22-19(21(24)25-2)14-16-10-12-18(13-11-16)26-15-17-8-5-4-6-9-17/h4-6,8-13,19H,3,7,14-15H2,1-2H3,(H,22,23)/t19-/m0/s1