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

Systemtic Name: 3-[(4-hexoxy-3-methoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Openeye Name: 3-[(4-hexoxy-3-methoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid CAS Name: 3-[(4-hexoxy-3-methoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid IUPAC Name: 3-[(4-hexoxy-3-methoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Traditional Name: 3-[(4-hexoxy-3-methoxy-benzyl)amino]cyclopentane-1,1-dicarboxylic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O)OC

InChI

InChI=1S/C21H31NO6/c1-3-4-5-6-11-28-17-8-7-15(12-18(17)27-2)14-22-16-9-10-21(13-16,19(23)24)20(25)26/h7-8,12,16,22H,3-6,9-11,13-14H2,1-2H3,(H,23,24)(H,25,26)