2-(1-tert-butyl-7-carboxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanoate

Systemtic Name: 2-(1-tert-butyl-7-carboxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanoate Openeye Name: 2-(1-tert-butyl-7-carboxy-3,4-dihydro-1H-isoquinolin-2-yl)acetate CAS Name: 2-(1-tert-butyl-7-carboxy-3,4-dihydro-1H-isoquinolin-2-yl)acetate IUPAC Name: 2-(1-tert-butyl-7-carboxy-3,4-dihydro-1H-isoquinolin-2-yl)acetate Traditional Name: 2-(1-tert-butyl-7-carboxy-3,4-dihydro-1H-isoquinolin-2-yl)acetate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=C(CCN1CC(=O)[O-])C=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1C2=C(CCN1CC(=O)[O-])C=CC(=C2)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-16(2,3)14-12-8-11(15(20)21)5-4-10(12)6-7-17(14)9-13(18)19/h4-5,8,14H,6-7,9H2,1-3H3,(H,18,19)(H,20,21)/p-1