6-chloranyl-6-(ethylamino)-5-(2-oxidanylpropyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-chloranyl-6-(ethylamino)-5-(2-oxidanylpropyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-chloro-6-(ethylamino)-5-(2-hydroxypropyl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-chloro-6-(ethylamino)-5-(2-hydroxypropyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-chloro-6-(ethylamino)-5-(2-hydroxypropyl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-chloro-6-(ethylamino)-5-(2-hydroxypropyl)cyclohexa-2,4-diene-1-carboxylic acid Formula: C12H18ClNO3 MolecularWeight: 259.72922

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1(C(C=CC=C1CC(C)O)C(=O)O)Cl

Isomeric SMILES

CCNC1(C(C=CC=C1CC(C)O)C(=O)O)Cl

InChI

InChI=1S/C12H18ClNO3/c1-3-14-12(13)9(7-8(2)15)5-4-6-10(12)11(16)17/h4-6,8,10,14-15H,3,7H2,1-2H3,(H,16,17)