methyl (2S)-3-[3-(hydroxymethyl)-4-prop-2-enoxy-phenyl]-2-(pent-4-enoylamino)propanoate

Systemtic Name: methyl (2S)-3-[3-(hydroxymethyl)-4-prop-2-enoxy-phenyl]-2-(pent-4-enoylamino)propanoate Openeye Name: methyl (2S)-3-[4-allyloxy-3-(hydroxymethyl)phenyl]-2-(pent-4-enoylamino)propanoate CAS Name: (2S)-3-[3-(hydroxymethyl)-4-prop-2-enoxyphenyl]-2-(1-oxopent-4-enylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-(hydroxymethyl)-4-prop-2-enoxyphenyl]-2-(pent-4-enoylamino)propanoate Traditional Name: (2S)-3-(4-allyloxy-3-methylol-phenyl)-2-(pent-4-enoylamino)propionic acid methyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)OCC=C)CO)NC(=O)CCC=C

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C=C1)OCC=C)CO)NC(=O)CCC=C

InChI

InChI=1S/C19H25NO5/c1-4-6-7-18(22)20-16(19(23)24-3)12-14-8-9-17(25-10-5-2)15(11-14)13-21/h4-5,8-9,11,16,21H,1-2,6-7,10,12-13H2,3H3,(H,20,22)/t16-/m0/s1