2-[(1R)-6-methoxy-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[(1R)-6-methoxy-7-oxidanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanoic acid Openeye Name: 2-[(1R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid CAS Name: 2-[(1R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid IUPAC Name: 2-[(1R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid Traditional Name: 2-[(1R)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)CC(=O)O)O

Isomeric SMILES

COC1=C(C=C2[C@H](NCCC2=C1)CC(=O)O)O

InChI

InChI=1S/C12H15NO4/c1-17-11-4-7-2-3-13-9(6-12(15)16)8(7)5-10(11)14/h4-5,9,13-14H,2-3,6H2,1H3,(H,15,16)/t9-/m1/s1