2-ethylbutyl (3S,6S)-6-[3-chloranyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate

Systemtic Name: 2-ethylbutyl (3S,6S)-6-[3-chloranyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate Openeye Name: 2-ethylbutyl (3S,6S)-6-[3-chloro-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate CAS Name: (3S,6S)-6-[3-chloro-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl (3S,6S)-6-[3-chloro-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate Traditional Name: (3S,6S)-6-[3-chloro-2-(2H-tetrazol-5-yl)phenoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid 2-ethylbutyl ester Formula: C23H32ClN5O3 MolecularWeight: 461.98488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)C1CC2CC(CCC2CN1)OC3=C(C(=CC=C3)Cl)C4=NNN=N4

Isomeric SMILES

CCC(CC)COC(=O)[C@@H]1CC2C[C@H](CCC2CN1)OC3=C(C(=CC=C3)Cl)C4=NNN=N4

InChI

InChI=1S/C23H32ClN5O3/c1-3-14(4-2)13-31-23(30)19-11-16-10-17(9-8-15(16)12-25-19)32-20-7-5-6-18(24)21(20)22-26-28-29-27-22/h5-7,14-17,19,25H,3-4,8-13H2,1-2H3,(H,26,27,28,29)/t15?,16?,17-,19-/m0/s1