cyanomethyl (2S)-2-(pent-4-enoylamino)-3-phenyl-propanoate

Systemtic Name: cyanomethyl (2S)-2-(pent-4-enoylamino)-3-phenyl-propanoate Openeye Name: cyanomethyl (2S)-2-(pent-4-enoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(1-oxopent-4-enylamino)-3-phenylpropanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-(pent-4-enoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(pent-4-enoylamino)-3-phenyl-propionic acid cyanomethyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)NC(CC1=CC=CC=C1)C(=O)OCC#N

Isomeric SMILES

C=CCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC#N

InChI

InChI=1S/C16H18N2O3/c1-2-3-9-15(19)18-14(16(20)21-11-10-17)12-13-7-5-4-6-8-13/h2,4-8,14H,1,3,9,11-12H2,(H,18,19)/t14-/m0/s1