3-phenylpropyl 5-[2-cyanoethyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[2-cyanoethyl-(phenylmethyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[benzyl(2-cyanoethyl)amino]-5-oxo-pentanoate CAS Name: 5-[2-cyanoethyl-(phenylmethyl)amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[benzyl(2-cyanoethyl)amino]-5-oxopentanoate Traditional Name: 5-[benzyl(2-cyanoethyl)amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C24H28N2O3/c25-17-9-18-26(20-22-12-5-2-6-13-22)23(27)15-7-16-24(28)29-19-8-14-21-10-3-1-4-11-21/h1-6,10-13H,7-9,14-16,18-20H2