3-[(4-carboxyphenyl)methylamino]-4-hexyl-benzoic acid

Systemtic Name: 3-[(4-carboxyphenyl)methylamino]-4-hexyl-benzoic acid Openeye Name: 3-[(4-carboxyphenyl)methylamino]-4-hexyl-benzoic acid CAS Name: 3-[(4-carboxyphenyl)methylamino]-4-hexylbenzoic acid IUPAC Name: 3-[(4-carboxyphenyl)methylamino]-4-hexylbenzoic acid Traditional Name: 3-[(4-carboxybenzyl)amino]-4-hexyl-benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H25NO4/c1-2-3-4-5-6-16-11-12-18(21(25)26)13-19(16)22-14-15-7-9-17(10-8-15)20(23)24/h7-13,22H,2-6,14H2,1H3,(H,23,24)(H,25,26)