2-azanyl-3-[(4-carboxyphenyl)methyl]-4-hexyl-benzoic acid

Systemtic Name: 2-azanyl-3-[(4-carboxyphenyl)methyl]-4-hexyl-benzoic acid Openeye Name: 2-amino-3-[(4-carboxyphenyl)methyl]-4-hexyl-benzoic acid CAS Name: 2-amino-3-[(4-carboxyphenyl)methyl]-4-hexylbenzoic acid IUPAC Name: 2-amino-3-[(4-carboxyphenyl)methyl]-4-hexylbenzoic acid Traditional Name: 2-amino-3-(4-carboxybenzyl)-4-hexyl-benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C(=O)O)N)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C(=O)O)N)CC2=CC=C(C=C2)C(=O)O

InChI

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