2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]-3-phenyl-propionic acid Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)NC(CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)NC(CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C20H22N2O2/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)21-17(19(23)24)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,21,22)(H,23,24)