2-azanylethyl 4-(4-oxidanylidenecyclohexa-1,5-dien-1-yl)butanoate

Systemtic Name: 2-azanylethyl 4-(4-oxidanylidenecyclohexa-1,5-dien-1-yl)butanoate Openeye Name: 2-aminoethyl 4-(4-oxocyclohexa-1,5-dien-1-yl)butanoate CAS Name: 4-(4-oxo-1-cyclohexa-1,5-dienyl)butanoic acid 2-aminoethyl ester IUPAC Name: 2-aminoethyl 4-(4-oxocyclohexa-1,5-dien-1-yl)butanoate Traditional Name: 4-(4-ketocyclohexa-1,5-dien-1-yl)butyric acid 2-aminoethyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1=O)CCCC(=O)OCCN

Isomeric SMILES

C1C=C(C=CC1=O)CCCC(=O)OCCN

InChI

InChI=1S/C12H17NO3/c13-8-9-16-12(15)3-1-2-10-4-6-11(14)7-5-10/h4-6H,1-3,7-9,13H2