octadecyl 2-(1-oxidanylidenepropan-2-ylamino)-4-phenyl-butanoate

Systemtic Name: octadecyl 2-(1-oxidanylidenepropan-2-ylamino)-4-phenyl-butanoate Openeye Name: octadecyl 2-[(1-methyl-2-oxo-ethyl)amino]-4-phenyl-butanoate CAS Name: 2-(1-oxopropan-2-ylamino)-4-phenylbutanoic acid octadecyl ester IUPAC Name: octadecyl 2-(1-oxopropan-2-ylamino)-4-phenylbutanoate Traditional Name: 2-[(2-keto-1-methyl-ethyl)amino]-4-phenyl-butyric acid stearyl ester Formula: C31H53NO3 MolecularWeight: 487.75742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H53NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-35-31(34)30(32-28(2)27-33)25-24-29-22-19-18-20-23-29/h18-20,22-23,27-28,30,32H,3-17,21,24-26H2,1-2H3