5-(2-cyanoethylamino)-5-oxidanylidene-2,4-bis(phenylmethyl)pentanoic acid

Systemtic Name: 5-(2-cyanoethylamino)-5-oxidanylidene-2,4-bis(phenylmethyl)pentanoic acid Openeye Name: 2,4-dibenzyl-5-(2-cyanoethylamino)-5-oxo-pentanoic acid CAS Name: 5-(2-cyanoethylamino)-5-oxo-2,4-bis(phenylmethyl)pentanoic acid IUPAC Name: 2,4-dibenzyl-5-(2-cyanoethylamino)-5-oxopentanoic acid Traditional Name: 2,4-dibenzyl-5-(2-cyanoethylamino)-5-keto-valeric acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(CC2=CC=CC=C2)C(=O)O)C(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(CC2=CC=CC=C2)C(=O)O)C(=O)NCCC#N

InChI

InChI=1S/C22H24N2O3/c23-12-7-13-24-21(25)19(14-17-8-3-1-4-9-17)16-20(22(26)27)15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,13-16H2,(H,24,25)(H,26,27)