6-[5-indol-1-yl-2-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid

Systemtic Name: 6-[5-indol-1-yl-2-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid Openeye Name: 6-[5-indol-1-yl-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid CAS Name: 6-[5-(1-indolyl)-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid IUPAC Name: 6-[5-indol-1-yl-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid Traditional Name: 6-[5-indol-1-yl-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CNC(CC2CC1OC3=C(C=CC(=C3)N4C=CC5=CC=CC=C54)C6=NNN=N6)C(=O)O

Isomeric SMILES

C1CC2CNC(CC2CC1OC3=C(C=CC(=C3)N4C=CC5=CC=CC=C54)C6=NNN=N6)C(=O)O

InChI

InChI=1S/C25H26N6O3/c32-25(33)21-12-17-11-19(7-5-16(17)14-26-21)34-23-13-18(6-8-20(23)24-27-29-30-28-24)31-10-9-15-3-1-2-4-22(15)31/h1-4,6,8-10,13,16-17,19,21,26H,5,7,11-12,14H2,(H,32,33)(H,27,28,29,30)