2-[(4-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl-(phenylcarbonyl)amino]ethanoic acid

Systemtic Name: 2-[(4-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl-(phenylcarbonyl)amino]ethanoic acid Openeye Name: 2-[benzoyl-[(4-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino]acetic acid CAS Name: 2-[benzoyl-[(4-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino]acetic acid IUPAC Name: 2-[benzoyl-[(4-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino]acetic acid Traditional Name: 2-[benzoyl-[(4-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino]acetic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(C2=CC=CC=C12)CN(CC(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CNC(C2=CC=CC=C12)CN(CC(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c1-14-11-21-18(17-10-6-5-9-16(14)17)12-22(13-19(23)24)20(25)15-7-3-2-4-8-15/h2-10,14,18,21H,11-13H2,1H3,(H,23,24)