methyl 4-azanyl-5-butanoyl-1-oxidanyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl 4-azanyl-5-butanoyl-1-oxidanyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl 4-amino-5-butanoyl-1-hydroxy-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-amino-1-hydroxy-5-(1-oxobutyl)-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-butanoyl-1-hydroxycyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-amino-5-butyryl-1-hydroxy-cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=CC(C1)(C(=O)OC)O)N

Isomeric SMILES

CCCC(=O)C1=C(C=CC(C1)(C(=O)OC)O)N

InChI

InChI=1S/C12H17NO4/c1-3-4-10(14)8-7-12(16,11(15)17-2)6-5-9(8)13/h5-6,16H,3-4,7,13H2,1-2H3