3-[(3-methoxy-5-methyl-4-octoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid

Systemtic Name: 3-[(3-methoxy-5-methyl-4-octoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Openeye Name: 3-[(3-methoxy-5-methyl-4-octoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid CAS Name: 3-[(3-methoxy-5-methyl-4-octoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid IUPAC Name: 3-[(3-methoxy-5-methyl-4-octoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Traditional Name: 3-[(3-methoxy-5-methyl-4-octoxy-benzyl)amino]cyclopentane-1,1-dicarboxylic acid Formula: C24H37NO6 MolecularWeight: 435.55368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1OC)CNC2CCC(C2)(C(=O)O)C(=O)O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1OC)CNC2CCC(C2)(C(=O)O)C(=O)O)C

InChI

InChI=1S/C24H37NO6/c1-4-5-6-7-8-9-12-31-21-17(2)13-18(14-20(21)30-3)16-25-19-10-11-24(15-19,22(26)27)23(28)29/h13-14,19,25H,4-12,15-16H2,1-3H3,(H,26,27)(H,28,29)