ethyl 4-acetamido-3-[(4-butyl-2-chloranyl-phenyl)methylamino]benzoate

Systemtic Name: ethyl 4-acetamido-3-[(4-butyl-2-chloranyl-phenyl)methylamino]benzoate Openeye Name: ethyl 4-acetamido-3-[(4-butyl-2-chloro-phenyl)methylamino]benzoate CAS Name: 4-acetamido-3-[(4-butyl-2-chlorophenyl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-acetamido-3-[(4-butyl-2-chlorophenyl)methylamino]benzoate Traditional Name: 4-acetamido-3-[(4-butyl-2-chloro-benzyl)amino]benzoic acid ethyl ester Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)CNC2=C(C=CC(=C2)C(=O)OCC)NC(=O)C)Cl

Isomeric SMILES

CCCCC1=CC(=C(C=C1)CNC2=C(C=CC(=C2)C(=O)OCC)NC(=O)C)Cl

InChI

InChI=1S/C22H27ClN2O3/c1-4-6-7-16-8-9-18(19(23)12-16)14-24-21-13-17(22(27)28-5-2)10-11-20(21)25-15(3)26/h8-13,24H,4-7,14H2,1-3H3,(H,25,26)