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

Systemtic Name: 3-[(3-methoxy-4-octoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Openeye Name: 3-[(3-methoxy-4-octoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid CAS Name: 3-[(3-methoxy-4-octoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid IUPAC Name: 3-[(3-methoxy-4-octoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Traditional Name: 3-[(3-methoxy-4-octoxy-benzyl)amino]cyclopentane-1,1-dicarboxylic acid Formula: C23H35NO6 MolecularWeight: 421.5271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O)OC

InChI

InChI=1S/C23H35NO6/c1-3-4-5-6-7-8-13-30-19-10-9-17(14-20(19)29-2)16-24-18-11-12-23(15-18,21(25)26)22(27)28/h9-10,14,18,24H,3-8,11-13,15-16H2,1-2H3,(H,25,26)(H,27,28)