3-[[4-[4-(4-methoxyphenyl)butoxy]phenyl]methylamino]cyclopentane-1,1-dicarboxylic acid

Systemtic Name: 3-[[4-[4-(4-methoxyphenyl)butoxy]phenyl]methylamino]cyclopentane-1,1-dicarboxylic acid Openeye Name: 3-[[4-[4-(4-methoxyphenyl)butoxy]phenyl]methylamino]cyclopentane-1,1-dicarboxylic acid CAS Name: 3-[[4-[4-(4-methoxyphenyl)butoxy]phenyl]methylamino]cyclopentane-1,1-dicarboxylic acid IUPAC Name: 3-[[4-[4-(4-methoxyphenyl)butoxy]phenyl]methylamino]cyclopentane-1,1-dicarboxylic acid Traditional Name: 3-[[4-[4-(4-methoxyphenyl)butoxy]benzyl]amino]cyclopentane-1,1-dicarboxylic acid Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)CNC3CCC(C3)(C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)CNC3CCC(C3)(C(=O)O)C(=O)O

InChI

InChI=1S/C25H31NO6/c1-31-21-9-5-18(6-10-21)4-2-3-15-32-22-11-7-19(8-12-22)17-26-20-13-14-25(16-20,23(27)28)24(29)30/h5-12,20,26H,2-4,13-17H2,1H3,(H,27,28)(H,29,30)