methyl 3-isoquinolin-4-yl-3-[methyl-(phenylmethyl)amino]propanoate

Systemtic Name: methyl 3-isoquinolin-4-yl-3-[methyl-(phenylmethyl)amino]propanoate Openeye Name: methyl 3-[benzyl(methyl)amino]-3-(4-isoquinolyl)propanoate CAS Name: 3-(4-isoquinolinyl)-3-[methyl-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[benzyl(methyl)amino]-3-isoquinolin-4-ylpropanoate Traditional Name: 3-[benzyl(methyl)amino]-3-(4-isoquinolyl)propionic acid methyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(CC(=O)OC)C2=CN=CC3=CC=CC=C32

Isomeric SMILES

CN(CC1=CC=CC=C1)C(CC(=O)OC)C2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O2/c1-23(15-16-8-4-3-5-9-16)20(12-21(24)25-2)19-14-22-13-17-10-6-7-11-18(17)19/h3-11,13-14,20H,12,15H2,1-2H3