methyl 4-[3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[cyclopentyl(piperonyl)amino]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO6/c1-28-24(27)18-7-9-21(10-8-18)29-15-20(26)14-25(19-4-2-3-5-19)13-17-6-11-22-23(12-17)31-16-30-22/h6-12,19-20,26H,2-5,13-16H2,1H3