(3S)-7-(1-benzofuran-2-ylmethoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-7-(1-benzofuran-2-ylmethoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-7-(benzofuran-2-ylmethoxy)-2-benzyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-(2-benzofuranylmethoxy)-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-7-(1-benzofuran-2-ylmethoxy)-2-benzyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-7-(benzofuran-2-ylmethoxy)-2-benzyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)OCC3=CC4=CC=CC=C4O3)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1[C@H](N(CC2=C1C=CC(=C2)OCC3=CC4=CC=CC=C4O3)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H23NO4/c28-26(29)24-14-19-10-11-22(30-17-23-12-20-8-4-5-9-25(20)31-23)13-21(19)16-27(24)15-18-6-2-1-3-7-18/h1-13,24H,14-17H2,(H,28,29)/t24-/m0/s1