(phenylmethyl) 3-(octylamino)-2-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-(octylamino)-2-oxidanylidene-propanoate Openeye Name: benzyl 3-(octylamino)-2-oxo-propanoate CAS Name: 3-(octylamino)-2-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(octylamino)-2-oxopropanoate Traditional Name: 2-keto-3-(octylamino)propionic acid benzyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-2-3-4-5-6-10-13-19-14-17(20)18(21)22-15-16-11-8-7-9-12-16/h7-9,11-12,19H,2-6,10,13-15H2,1H3