(phenylmethyl) 3-methyl-2-(2-methylpent-4-enoylamino)butanoate

Systemtic Name: (phenylmethyl) 3-methyl-2-(2-methylpent-4-enoylamino)butanoate Openeye Name: benzyl 3-methyl-2-(2-methylpent-4-enoylamino)butanoate CAS Name: 3-methyl-2-[(2-methyl-1-oxopent-4-enyl)amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-(2-methylpent-4-enoylamino)butanoate Traditional Name: 3-methyl-2-(2-methylpent-4-enoylamino)butyric acid benzyl ester Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(C)CC=C

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(C)CC=C

InChI

InChI=1S/C18H25NO3/c1-5-9-14(4)17(20)19-16(13(2)3)18(21)22-12-15-10-7-6-8-11-15/h5-8,10-11,13-14,16H,1,9,12H2,2-4H3,(H,19,20)