2,2-bis[3-butyl-4-(ethylamino)phenyl]ethanoic acid

Systemtic Name: 2,2-bis[3-butyl-4-(ethylamino)phenyl]ethanoic acid Openeye Name: 2,2-bis[3-butyl-4-(ethylamino)phenyl]acetic acid CAS Name: 2,2-bis[3-butyl-4-(ethylamino)phenyl]acetic acid IUPAC Name: 2,2-bis[3-butyl-4-(ethylamino)phenyl]acetic acid Traditional Name: 2,2-bis[3-butyl-4-(ethylamino)phenyl]acetic acid Formula: C26H38N2O2 MolecularWeight: 410.59212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)NCC)CCCC)C(=O)O)NCC

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)NCC)CCCC)C(=O)O)NCC

InChI

InChI=1S/C26H38N2O2/c1-5-9-11-19-17-21(13-15-23(19)27-7-3)25(26(29)30)22-14-16-24(28-8-4)20(18-22)12-10-6-2/h13-18,25,27-28H,5-12H2,1-4H3,(H,29,30)