(4-cyanophenyl)methyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: (4-cyanophenyl)methyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: (4-cyanophenyl)methyl (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyric acid (4-cyanobenzyl) ester Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H24N2O3/c1-17(2)24(25(29)30-16-19-12-10-18(15-26)11-13-19)27-23(28)14-21-8-5-7-20-6-3-4-9-22(20)21/h3-13,17,24H,14,16H2,1-2H3,(H,27,28)/t24-/m0/s1