(1-chloranyl-5-methoxy-2-methyl-cyclohexa-2,5-dien-1-yl) 4-azanylbutanoate

Systemtic Name: (1-chloranyl-5-methoxy-2-methyl-cyclohexa-2,5-dien-1-yl) 4-azanylbutanoate Openeye Name: (1-chloro-5-methoxy-2-methyl-cyclohexa-2,5-dien-1-yl) 4-aminobutanoate CAS Name: 4-aminobutanoic acid (1-chloro-5-methoxy-2-methyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-chloro-5-methoxy-2-methylcyclohexa-2,5-dien-1-yl) 4-aminobutanoate Traditional Name: 4-aminobutyric acid (1-chloro-5-methoxy-2-methyl-cyclohexa-2,5-dien-1-yl) ester Formula: C12H18ClNO3 MolecularWeight: 259.72922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=CC1(OC(=O)CCCN)Cl)OC

Isomeric SMILES

CC1=CCC(=CC1(OC(=O)CCCN)Cl)OC

InChI

InChI=1S/C12H18ClNO3/c1-9-5-6-10(16-2)8-12(9,13)17-11(15)4-3-7-14/h5,8H,3-4,6-7,14H2,1-2H3