4-methylpentyl 2-(3-phenylpropanoylamino)propanoate

Systemtic Name: 4-methylpentyl 2-(3-phenylpropanoylamino)propanoate Openeye Name: isohexyl 2-(3-phenylpropanoylamino)propanoate CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]propanoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2-(3-phenylpropanoylamino)propanoate Traditional Name: 2-(hydrocinnamoylamino)propionic acid isohexyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C(C)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)CCCOC(=O)C(C)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C18H27NO3/c1-14(2)8-7-13-22-18(21)15(3)19-17(20)12-11-16-9-5-4-6-10-16/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,19,20)