methyl 4-chloranyl-3-[3-(3,4-diethoxyphenyl)propanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[3-(3,4-diethoxyphenyl)propanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[3-(3,4-diethoxyphenyl)propanoylamino]benzoate CAS Name: 4-chloro-3-[[3-(3,4-diethoxyphenyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[3-(3,4-diethoxyphenyl)propanoylamino]benzoate Traditional Name: 4-chloro-3-[3-(3,4-diethoxyphenyl)propanoylamino]benzoic acid methyl ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)OCC

InChI

InChI=1S/C21H24ClNO5/c1-4-27-18-10-6-14(12-19(18)28-5-2)7-11-20(24)23-17-13-15(21(25)26-3)8-9-16(17)22/h6,8-10,12-13H,4-5,7,11H2,1-3H3,(H,23,24)