(phenylmethyl) 5-(2,2-dimethylpropylcarbamoyl)-2-[2-(hydroxymethyl)phenyl]benzoate

Systemtic Name: (phenylmethyl) 5-(2,2-dimethylpropylcarbamoyl)-2-[2-(hydroxymethyl)phenyl]benzoate Openeye Name: benzyl 5-(2,2-dimethylpropylcarbamoyl)-2-[2-(hydroxymethyl)phenyl]benzoate CAS Name: 5-[(2,2-dimethylpropylamino)-oxomethyl]-2-[2-(hydroxymethyl)phenyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(2,2-dimethylpropylcarbamoyl)-2-[2-(hydroxymethyl)phenyl]benzoate Traditional Name: 2-(2-methylolphenyl)-5-(neopentylcarbamoyl)benzoic acid benzyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H29NO4/c1-27(2,3)18-28-25(30)20-13-14-23(22-12-8-7-11-21(22)16-29)24(15-20)26(31)32-17-19-9-5-4-6-10-19/h4-15,29H,16-18H2,1-3H3,(H,28,30)