(3S)-3-(4-ethoxyphenyl)-3-(4-phenylbutanoylamino)propanoate

Systemtic Name: (3S)-3-(4-ethoxyphenyl)-3-(4-phenylbutanoylamino)propanoate Openeye Name: (3S)-3-(4-ethoxyphenyl)-3-(4-phenylbutanoylamino)propanoate CAS Name: (3S)-3-(4-ethoxyphenyl)-3-[(1-oxo-4-phenylbutyl)amino]propanoate IUPAC Name: (3S)-3-(4-ethoxyphenyl)-3-(4-phenylbutanoylamino)propanoate Traditional Name: (3S)-3-(4-phenylbutanoylamino)-3-p-phenetyl-propionate Formula: C21H24NO4- MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-2-26-18-13-11-17(12-14-18)19(15-21(24)25)22-20(23)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-14,19H,2,6,9-10,15H2,1H3,(H,22,23)(H,24,25)/p-1/t19-/m0/s1