(3-methylphenyl)methyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: (3-methylphenyl)methyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: m-tolylmethyl (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyric acid (3-methylbenzyl) ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H27NO3/c1-17(2)24(25(28)29-16-19-9-6-8-18(3)14-19)26-23(27)15-21-12-7-11-20-10-4-5-13-22(20)21/h4-14,17,24H,15-16H2,1-3H3,(H,26,27)/t24-/m0/s1