ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-chloranyl-5-[cyclohexyl(methyl)amino]benzoate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-chloranyl-5-[cyclohexyl(methyl)amino]benzoate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-chloro-5-[cyclohexyl(methyl)amino]benzoate CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-2-chloro-5-[cyclohexyl(methyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-chloro-5-[cyclohexyl(methyl)amino]benzoate Traditional Name: 2-chloro-5-[cyclohexyl(methyl)amino]-4-(piperonylcarbamoyl)benzoic acid ethyl ester Formula: C25H29ClN2O5 MolecularWeight: 472.96116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1Cl)C(=O)NCC2=CC3=C(C=C2)OCO3)N(C)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1Cl)C(=O)NCC2=CC3=C(C=C2)OCO3)N(C)C4CCCCC4

InChI

InChI=1S/C25H29ClN2O5/c1-3-31-25(30)18-13-21(28(2)17-7-5-4-6-8-17)19(12-20(18)26)24(29)27-14-16-9-10-22-23(11-16)33-15-32-22/h9-13,17H,3-8,14-15H2,1-2H3,(H,27,29)