[4-(hydroxymethyl)-1,2-dimethyl-5-phenyl-pyrrol-3-yl]methanol; methylcarbamic acid

Systemtic Name: [4-(hydroxymethyl)-1,2-dimethyl-5-phenyl-pyrrol-3-yl]methanol; methylcarbamic acid Openeye Name: [4-(hydroxymethyl)-1,2-dimethyl-5-phenyl-pyrrol-3-yl]methanol; methylcarbamic acid CAS Name: [4-(hydroxymethyl)-1,2-dimethyl-5-phenyl-3-pyrrolyl]methanol; methylcarbamic acid IUPAC Name: [4-(hydroxymethyl)-1,2-dimethyl-5-phenylpyrrol-3-yl]methanol; methylcarbamic acid Traditional Name: (1,2-dimethyl-4-methylol-5-phenyl-pyrrol-3-yl)methanol; methylcarbamic acid Formula: C18H27N3O6 MolecularWeight: 381.42348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C2=CC=CC=C2)CO)CO.CNC(=O)O.CNC(=O)O

Isomeric SMILES

CC1=C(C(=C(N1C)C2=CC=CC=C2)CO)CO.CNC(=O)O.CNC(=O)O

InChI

InChI=1S/C14H17NO2.2C2H5NO2/c1-10-12(8-16)13(9-17)14(15(10)2)11-6-4-3-5-7-11;2*1-3-2(4)5/h3-7,16-17H,8-9H2,1-2H3;2*3H,1H3,(H,4,5)