ethyl 4-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-acetamido-3-methylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]benzoic acid ethyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C16H22N2O4/c1-5-22-16(21)12-6-8-13(9-7-12)18-15(20)14(10(2)3)17-11(4)19/h6-10,14H,5H2,1-4H3,(H,17,19)(H,18,20)/t14-/m0/s1