4-[(4-nonylphenyl)methylamino]pentanoic acid

Systemtic Name: 4-[(4-nonylphenyl)methylamino]pentanoic acid Openeye Name: 4-[(4-nonylphenyl)methylamino]pentanoic acid CAS Name: 4-[(4-nonylphenyl)methylamino]pentanoic acid IUPAC Name: 4-[(4-nonylphenyl)methylamino]pentanoic acid Traditional Name: 4-[(4-nonylbenzyl)amino]valeric acid Formula: C21H35NO2 MolecularWeight: 333.5081

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)CNC(C)CCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)CNC(C)CCC(=O)O

InChI

InChI=1S/C21H35NO2/c1-3-4-5-6-7-8-9-10-19-12-14-20(15-13-19)17-22-18(2)11-16-21(23)24/h12-15,18,22H,3-11,16-17H2,1-2H3,(H,23,24)