3-(9H-fluoren-9-ylmethoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

Systemtic Name: 3-(9H-fluoren-9-ylmethoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid Openeye Name: 3-(9H-fluoren-9-ylmethoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid CAS Name: 3-[9H-fluoren-9-ylmethoxy(oxo)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid IUPAC Name: 3-(9H-fluoren-9-ylmethoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid Traditional Name: 3-(9H-fluoren-9-ylmethoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid Formula: C25H21NO4 MolecularWeight: 399.43854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(C2=CC=CC=C21)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C1C(NC(C2=CC=CC=C21)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C25H21NO4/c27-24(28)23-16-8-2-1-7-15(16)13-22(26-23)25(29)30-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21-23,26H,13-14H2,(H,27,28)