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

Systemtic Name: 3-[(4-nonylphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Openeye Name: 3-[(4-nonylphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid CAS Name: 3-[(4-nonylphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid IUPAC Name: 3-[(4-nonylphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Traditional Name: 3-[(4-nonylbenzyl)amino]cyclopentane-1,1-dicarboxylic acid Formula: C23H35NO4 MolecularWeight: 389.5283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)CNC2CCC(C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C23H35NO4/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)17-24-20-14-15-23(16-20,21(25)26)22(27)28/h10-13,20,24H,2-9,14-17H2,1H3,(H,25,26)(H,27,28)