methyl 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]benzoate Openeye Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]benzoate CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]benzoate Traditional Name: 4-[[cyclopentyl(piperonyl)amino]methyl]benzoic acid methyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H25NO4/c1-25-22(24)18-9-6-16(7-10-18)13-23(19-4-2-3-5-19)14-17-8-11-20-21(12-17)27-15-26-20/h6-12,19H,2-5,13-15H2,1H3