methyl 4-(3-azanyl-1H-isoquinolin-2-yl)benzoate

Systemtic Name: methyl 4-(3-azanyl-1H-isoquinolin-2-yl)benzoate Openeye Name: methyl 4-(3-amino-1H-isoquinolin-2-yl)benzoate CAS Name: 4-(3-amino-1H-isoquinolin-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-amino-1H-isoquinolin-2-yl)benzoate Traditional Name: 4-(3-amino-1H-isoquinolin-2-yl)benzoic acid methyl ester Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C=C2N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C=C2N

InChI

InChI=1S/C17H16N2O2/c1-21-17(20)12-6-8-15(9-7-12)19-11-14-5-3-2-4-13(14)10-16(19)18/h2-10H,11,18H2,1H3