2-[2-(phenethylamino)-1-(phenylmethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(phenethylamino)-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-[1-benzyl-2-(phenethylamino)indol-3-yl]acetic acid CAS Name: 2-[2-(phenethylamino)-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-[1-benzyl-2-(phenethylamino)indol-3-yl]acetic acid Traditional Name: 2-[1-benzyl-2-(phenethylamino)indol-3-yl]acetic acid Formula: C25H24N2O2 MolecularWeight: 384.47026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C25H24N2O2/c28-24(29)17-22-21-13-7-8-14-23(21)27(18-20-11-5-2-6-12-20)25(22)26-16-15-19-9-3-1-4-10-19/h1-14,26H,15-18H2,(H,28,29)