2-(3-methyl-6-oxidanyl-6-pyrrolidin-1-yl-cyclohexa-2,4-dien-1-yl)propanoic acid

Systemtic Name: 2-(3-methyl-6-oxidanyl-6-pyrrolidin-1-yl-cyclohexa-2,4-dien-1-yl)propanoic acid Openeye Name: 2-(6-hydroxy-3-methyl-6-pyrrolidin-1-yl-cyclohexa-2,4-dien-1-yl)propanoic acid CAS Name: 2-[6-hydroxy-3-methyl-6-(1-pyrrolidinyl)-1-cyclohexa-2,4-dienyl]propanoic acid IUPAC Name: 2-(6-hydroxy-3-methyl-6-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)propanoic acid Traditional Name: 2-(6-hydroxy-3-methyl-6-pyrrolidino-cyclohexa-2,4-dien-1-yl)propionic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C=C1)(N2CCCC2)O)C(C)C(=O)O

Isomeric SMILES

CC1=CC(C(C=C1)(N2CCCC2)O)C(C)C(=O)O

InChI

InChI=1S/C14H21NO3/c1-10-5-6-14(18,15-7-3-4-8-15)12(9-10)11(2)13(16)17/h5-6,9,11-12,18H,3-4,7-8H2,1-2H3,(H,16,17)