2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)prop-2-enyl-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)prop-2-enyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)allyl]amino]acetic acid CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)prop-2-enyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)prop-2-enyl]amino]acetic acid Traditional Name: 2-[benzyl-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)allyl]amino]acetic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1CCC2=CC=CC=C2C1)CN(CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C=C(CN1CCC2=CC=CC=C2C1)CN(CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C22H26N2O2/c1-18(13-23-12-11-20-9-5-6-10-21(20)16-23)14-24(17-22(25)26)15-19-7-3-2-4-8-19/h2-10H,1,11-17H2,(H,25,26)