methyl 4-[4-(4-chloranylbutanoylamino)-2-methyl-phenyl]benzoate

Systemtic Name: methyl 4-[4-(4-chloranylbutanoylamino)-2-methyl-phenyl]benzoate Openeye Name: methyl 4-[4-(4-chlorobutanoylamino)-2-methyl-phenyl]benzoate CAS Name: 4-[4-[(4-chloro-1-oxobutyl)amino]-2-methylphenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-chlorobutanoylamino)-2-methylphenyl]benzoate Traditional Name: 4-[4-(4-chlorobutanoylamino)-2-methyl-phenyl]benzoic acid methyl ester Formula: C19H20ClNO3 MolecularWeight: 345.82

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO3/c1-13-12-16(21-18(22)4-3-11-20)9-10-17(13)14-5-7-15(8-6-14)19(23)24-2/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)