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

Systemtic Name: ethyl 4-acetamido-3-[[2-chloranyl-4-(cyclohexyloxymethyl)phenyl]methylamino]benzoate Openeye Name: ethyl 4-acetamido-3-[[2-chloro-4-(cyclohexoxymethyl)phenyl]methylamino]benzoate CAS Name: 4-acetamido-3-[[2-chloro-4-(cyclohexyloxymethyl)phenyl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-acetamido-3-[[2-chloro-4-(cyclohexyloxymethyl)phenyl]methylamino]benzoate Traditional Name: 4-acetamido-3-[[2-chloro-4-(cyclohexoxymethyl)benzyl]amino]benzoic acid ethyl ester Formula: C25H31ClN2O4 MolecularWeight: 458.97764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)NCC2=C(C=C(C=C2)COC3CCCCC3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)NCC2=C(C=C(C=C2)COC3CCCCC3)Cl

InChI

InChI=1S/C25H31ClN2O4/c1-3-31-25(30)19-11-12-23(28-17(2)29)24(14-19)27-15-20-10-9-18(13-22(20)26)16-32-21-7-5-4-6-8-21/h9-14,21,27H,3-8,15-16H2,1-2H3,(H,28,29)