methyl 4-chloranyl-3-[4-(3-methylphenoxy)butanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[4-(3-methylphenoxy)butanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[4-(3-methylphenoxy)butanoylamino]benzoate CAS Name: 4-chloro-3-[[4-(3-methylphenoxy)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-(3-methylphenoxy)butanoylamino]benzoate Traditional Name: 4-chloro-3-[4-(3-methylphenoxy)butanoylamino]benzoic acid methyl ester Formula: C19H20ClNO4 MolecularWeight: 361.8194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C19H20ClNO4/c1-13-5-3-6-15(11-13)25-10-4-7-18(22)21-17-12-14(19(23)24-2)8-9-16(17)20/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,21,22)