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

Systemtic Name: methyl 4-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[cyclopentyl(piperonyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-28-23(27)17-7-9-18(10-8-17)24-22(26)14-25(19-4-2-3-5-19)13-16-6-11-20-21(12-16)30-15-29-20/h6-12,19H,2-5,13-15H2,1H3,(H,24,26)