ethyl 4-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]benzoate

Systemtic Name: ethyl 4-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]benzoate Openeye Name: ethyl 4-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]benzoate CAS Name: 4-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]benzoate Traditional Name: 4-[(3,3-dimethyl-4H-isoquinolin-1-yl)amino]benzoic acid ethyl ester Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(CC3=CC=CC=C32)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(CC3=CC=CC=C32)(C)C

InChI

InChI=1S/C20H22N2O2/c1-4-24-19(23)14-9-11-16(12-10-14)21-18-17-8-6-5-7-15(17)13-20(2,3)22-18/h5-12H,4,13H2,1-3H3,(H,21,22)