cyanomethyl (2S)-3-naphthalen-2-yl-2-(pentanoylamino)propanoate

Systemtic Name: cyanomethyl (2S)-3-naphthalen-2-yl-2-(pentanoylamino)propanoate Openeye Name: cyanomethyl (2S)-3-(2-naphthyl)-2-(pentanoylamino)propanoate CAS Name: (2S)-3-(2-naphthalenyl)-2-(1-oxopentylamino)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-3-naphthalen-2-yl-2-(pentanoylamino)propanoate Traditional Name: (2S)-3-(2-naphthyl)-2-(valerylamino)propionic acid cyanomethyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)OCC#N

Isomeric SMILES

CCCCC(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)OCC#N

InChI

InChI=1S/C20H22N2O3/c1-2-3-8-19(23)22-18(20(24)25-12-11-21)14-15-9-10-16-6-4-5-7-17(16)13-15/h4-7,9-10,13,18H,2-3,8,12,14H2,1H3,(H,22,23)/t18-/m0/s1