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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C2=CC=CC=C2)C)CO)CO.CNC(=O)O.CNC(=O)O

Isomeric SMILES

CC1=C(C(=C(N1C2=CC=CC=C2)C)CO)CO.CNC(=O)O.CNC(=O)O

InChI

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