methyl 5-[4-azanyl-3-(phenylcarbonyl)phenyl]-5-methyl-hexanoate

Systemtic Name: methyl 5-[4-azanyl-3-(phenylcarbonyl)phenyl]-5-methyl-hexanoate Openeye Name: methyl 5-(4-amino-3-benzoyl-phenyl)-5-methyl-hexanoate CAS Name: 5-(4-amino-3-benzoylphenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(4-amino-3-benzoylphenyl)-5-methylhexanoate Traditional Name: 5-(4-amino-3-benzoyl-phenyl)-5-methyl-hexanoic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)OC)C1=CC(=C(C=C1)N)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(CCCC(=O)OC)C1=CC(=C(C=C1)N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO3/c1-21(2,13-7-10-19(23)25-3)16-11-12-18(22)17(14-16)20(24)15-8-5-4-6-9-15/h4-6,8-9,11-12,14H,7,10,13,22H2,1-3H3