3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxybenzoic acid

Systemtic Name: 3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxybenzoic acid Openeye Name: 3-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxybenzoic acid CAS Name: 3-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]benzoic acid IUPAC Name: 3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxybenzoic acid Traditional Name: 3-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxybenzoic acid Formula: C20H21NO6 MolecularWeight: 371.38384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=CC(=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=CC(=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21NO6/c1-13(2)17(21-20(25)26-12-14-7-4-3-5-8-14)19(24)27-16-10-6-9-15(11-16)18(22)23/h3-11,13,17H,12H2,1-2H3,(H,21,25)(H,22,23)