[4-(hydroxymethyl)-2,6-dimethyl-heptan-4-yl]carbamoyl benzoate

Systemtic Name: [4-(hydroxymethyl)-2,6-dimethyl-heptan-4-yl]carbamoyl benzoate Openeye Name: [1-(hydroxymethyl)-1-isobutyl-3-methyl-butyl]carbamoyl benzoate CAS Name: benzoic acid [[[4-(hydroxymethyl)-2,6-dimethylheptan-4-yl]amino]-oxomethyl] ester IUPAC Name: [4-(hydroxymethyl)-2,6-dimethylheptan-4-yl]carbamoyl benzoate Traditional Name: benzoic acid (1-isobutyl-3-methyl-1-methylol-butyl)carbamoyl ester Formula: C18H27NO4 MolecularWeight: 321.41128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)(CO)NC(=O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CC(CC(C)C)(CO)NC(=O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H27NO4/c1-13(2)10-18(12-20,11-14(3)4)19-17(22)23-16(21)15-8-6-5-7-9-15/h5-9,13-14,20H,10-12H2,1-4H3,(H,19,22)