4-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]oxy-phenyl-methyl]benzoic acid

Systemtic Name: 4-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]oxy-phenyl-methyl]benzoic acid Openeye Name: 4-[[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butoxy]-phenyl-methyl]benzoic acid CAS Name: 4-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]oxy-phenylmethyl]benzoic acid IUPAC Name: 4-[[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]oxy-phenylmethyl]benzoic acid Traditional Name: 4-[[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butoxy]-phenyl-methyl]benzoic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H24N2O4/c1-15(2)14-19(21(25)24-13-12-23)28-20(16-6-4-3-5-7-16)17-8-10-18(11-9-17)22(26)27/h3-11,15,19-20H,13-14H2,1-2H3,(H,24,25)(H,26,27)/t19-,20?/m0/s1