methyl 4-[[4-[1,3-benzodioxol-5-ylcarbonyl(cyclopropylmethyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[1,3-benzodioxol-5-ylcarbonyl(cyclopropylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[1,3-benzodioxole-5-carbonyl(cyclopropylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[1,3-benzodioxol-5-yl(oxo)methyl]-(cyclopropylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[1,3-benzodioxole-5-carbonyl(cyclopropylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[cyclopropylmethyl(piperonyloyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N2O5/c1-31-26(30)20-6-4-18(5-7-20)15-27-12-10-22(11-13-27)28(16-19-2-3-19)25(29)21-8-9-23-24(14-21)33-17-32-23/h4-9,14,19,22H,2-3,10-13,15-17H2,1H3