(3S,6S)-6-[4-chloranyl-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: (3S,6S)-6-[4-chloranyl-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: (3S,6S)-6-[4-chloro-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid CAS Name: (3S,6S)-6-[4-chloro-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid IUPAC Name: (3S,6S)-6-[4-chloro-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid Traditional Name: (3S,6S)-6-[4-chloro-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CNC(CC2CC1OC3=C(C=C(C=C3)Cl)C4=NNN=N4)C(=O)O

Isomeric SMILES

C1CC2CN[C@@H](CC2C[C@H]1OC3=C(C=C(C=C3)Cl)C4=NNN=N4)C(=O)O

InChI

InChI=1S/C17H20ClN5O3/c18-11-2-4-15(13(7-11)16-20-22-23-21-16)26-12-3-1-9-8-19-14(17(24)25)6-10(9)5-12/h2,4,7,9-10,12,14,19H,1,3,5-6,8H2,(H,24,25)(H,20,21,22,23)/t9?,10?,12-,14-/m0/s1