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

Systemtic Name: 1-[4-(2-azanyl-2-methyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[4-(2-amino-3-hydroxy-2-methyl-3-oxo-propyl)phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[4-(2-amino-3-hydroxy-2-methyl-3-oxopropyl)phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-(2-amino-3-hydroxy-2-methyl-3-oxopropyl)phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[4-(2-amino-3-hydroxy-3-keto-2-methyl-propyl)phenyl]pyrrole-2-carboxylic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/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)