ethyl 4-acetamido-3-(isoquinolin-3-ylmethylamino)benzoate

Systemtic Name: ethyl 4-acetamido-3-(isoquinolin-3-ylmethylamino)benzoate Openeye Name: ethyl 4-acetamido-3-(3-isoquinolylmethylamino)benzoate CAS Name: 4-acetamido-3-(3-isoquinolinylmethylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-acetamido-3-(isoquinolin-3-ylmethylamino)benzoate Traditional Name: 4-acetamido-3-(3-isoquinolylmethylamino)benzoic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)NCC2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)NCC2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C21H21N3O3/c1-3-27-21(26)16-8-9-19(24-14(2)25)20(11-16)23-13-18-10-15-6-4-5-7-17(15)12-22-18/h4-12,23H,3,13H2,1-2H3,(H,24,25)