4-(6-methoxy-3,4-dihydroisoquinolin-4-yl)butanoate

Systemtic Name: 4-(6-methoxy-3,4-dihydroisoquinolin-4-yl)butanoate Openeye Name: 4-(6-methoxy-3,4-dihydroisoquinolin-4-yl)butanoate CAS Name: 4-(6-methoxy-3,4-dihydroisoquinolin-4-yl)butanoate IUPAC Name: 4-(6-methoxy-3,4-dihydroisoquinolin-4-yl)butanoate Traditional Name: 4-(6-methoxy-3,4-dihydroisoquinolin-4-yl)butyrate Formula: C14H16NO3- MolecularWeight: 246.28174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=NCC2CCCC(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C=NCC2CCCC(=O)[O-]

InChI

InChI=1S/C14H17NO3/c1-18-12-6-5-11-9-15-8-10(13(11)7-12)3-2-4-14(16)17/h5-7,9-10H,2-4,8H2,1H3,(H,16,17)/p-1