methyl 4-[4-(5-chloranylpentanoylamino)-2-methyl-phenyl]benzoate

Systemtic Name: methyl 4-[4-(5-chloranylpentanoylamino)-2-methyl-phenyl]benzoate Openeye Name: methyl 4-[4-(5-chloropentanoylamino)-2-methyl-phenyl]benzoate CAS Name: 4-[4-[(5-chloro-1-oxopentyl)amino]-2-methylphenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5-chloropentanoylamino)-2-methylphenyl]benzoate Traditional Name: 4-[4-(5-chloropentanoylamino)-2-methyl-phenyl]benzoic acid methyl ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCCCl)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCCCCl)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H22ClNO3/c1-14-13-17(22-19(23)5-3-4-12-21)10-11-18(14)15-6-8-16(9-7-15)20(24)25-2/h6-11,13H,3-5,12H2,1-2H3,(H,22,23)