1-[4-(2-azanyl-2-methyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]pyrrole-2-carboxylic acid dihydrate

Systemtic Name: 1-[4-(2-azanyl-2-methyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]pyrrole-2-carboxylic acid dihydrate Openeye Name: 1-[4-(2-amino-3-hydroxy-2-methyl-3-oxo-propyl)phenyl]pyrrole-2-carboxylic acid dihydrate CAS Name: 1-[4-(2-amino-3-hydroxy-2-methyl-3-oxopropyl)phenyl]-2-pyrrolecarboxylic acid dihydrate IUPAC Name: 1-[4-(2-amino-3-hydroxy-2-methyl-3-oxopropyl)phenyl]pyrrole-2-carboxylic acid dihydrate Traditional Name: 1-[4-(2-amino-3-hydroxy-3-keto-2-methyl-propyl)phenyl]pyrrole-2-carboxylic acid dihydrate Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)N2C=CC=C2C(=O)O)(C(=O)O)N.O.O

Isomeric SMILES

CC(CC1=CC=C(C=C1)N2C=CC=C2C(=O)O)(C(=O)O)N.O.O

InChI

InChI=1S/C15H16N2O4.2H2O/c1-15(16,14(20)21)9-10-4-6-11(7-5-10)17-8-2-3-12(17)13(18)19;;/h2-8H,9,16H2,1H3,(H,18,19)(H,20,21);2*1H2