(2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: (2S)-3-(4-benzyloxyphenyl)-2-(butanoylamino)propanoic acid CAS Name: (2S)-2-(1-oxobutylamino)-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: (2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-butyramido-propionic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4/c1-2-6-19(22)21-18(20(23)24)13-15-9-11-17(12-10-15)25-14-16-7-4-3-5-8-16/h3-5,7-12,18H,2,6,13-14H2,1H3,(H,21,22)(H,23,24)/t18-/m0/s1