1,2,2-trimethyl-3-[[3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1,2,2-trimethyl-3-[[3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]carbamoyl]cyclopentane-1-carboxylic acid Openeye Name: 3-[[3-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[[3-[(E)-3-hydroxy-3-oxoprop-1-enyl]anilino]-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-[[3-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-[[3-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylic acid Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC=CC(=C2)C=CC(=O)O)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC=CC(=C2)/C=C/C(=O)O)C

InChI

InChI=1S/C19H23NO5/c1-18(2)14(9-10-19(18,3)17(24)25)16(23)20-13-6-4-5-12(11-13)7-8-15(21)22/h4-8,11,14H,9-10H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)/b8-7+