3-[(4-octylphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid

Systemtic Name: 3-[(4-octylphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Openeye Name: 3-[(4-octylphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid CAS Name: 3-[(4-octylphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid IUPAC Name: 3-[(4-octylphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Traditional Name: 3-[(4-octylbenzyl)amino]cyclopentane-1,1-dicarboxylic acid Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C22H33NO4/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)16-23-19-13-14-22(15-19,20(24)25)21(26)27/h9-12,19,23H,2-8,13-16H2,1H3,(H,24,25)(H,26,27)