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

Systemtic Name: methyl 3-[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[cyclopentyl(piperonyl)amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C24H28N2O5/c1-16-7-9-18(24(28)29-2)12-20(16)25-23(27)14-26(19-5-3-4-6-19)13-17-8-10-21-22(11-17)31-15-30-21/h7-12,19H,3-6,13-15H2,1-2H3,(H,25,27)