3-[(3-chloranyl-4-nonoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid

Systemtic Name: 3-[(3-chloranyl-4-nonoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Openeye Name: 3-[(3-chloro-4-nonoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid CAS Name: 3-[(3-chloro-4-nonoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid IUPAC Name: 3-[(3-chloro-4-nonoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Traditional Name: 3-[(3-chloro-4-nonoxy-benzyl)amino]cyclopentane-1,1-dicarboxylic acid Formula: C23H34ClNO5 MolecularWeight: 439.97276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C23H34ClNO5/c1-2-3-4-5-6-7-8-13-30-20-10-9-17(14-19(20)24)16-25-18-11-12-23(15-18,21(26)27)22(28)29/h9-10,14,18,25H,2-8,11-13,15-16H2,1H3,(H,26,27)(H,28,29)