3-[(4-carboxyphenyl)methyl]benzoic acid; pentan-1-amine

Systemtic Name: 3-[(4-carboxyphenyl)methyl]benzoic acid; pentan-1-amine Openeye Name: 3-[(4-carboxyphenyl)methyl]benzoic acid; pentan-1-amine CAS Name: 3-[(4-carboxyphenyl)methyl]benzoic acid; 1-pentanamine IUPAC Name: 3-[(4-carboxyphenyl)methyl]benzoic acid; pentan-1-amine Traditional Name: amylamine; 3-(4-carboxybenzyl)benzoic acid Formula: C20H25NO4 MolecularWeight: 343.4168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN.C1=CC(=CC(=C1)CC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCN.C1=CC(=CC(=C1)CC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12O4.C5H13N/c16-14(17)12-6-4-10(5-7-12)8-11-2-1-3-13(9-11)15(18)19;1-2-3-4-5-6/h1-7,9H,8H2,(H,16,17)(H,18,19);2-6H2,1H3