4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoic acid

Systemtic Name: 4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoic acid Openeye Name: 4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoic acid CAS Name: 4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoic acid IUPAC Name: 4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoic acid Traditional Name: 4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2[C@@H](NCCC2=C1)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C18H19NO4/c1-22-15-9-13-7-8-19-17(14(13)10-16(15)23-2)11-3-5-12(6-4-11)18(20)21/h3-6,9-10,17,19H,7-8H2,1-2H3,(H,20,21)/t17-/m0/s1