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

Systemtic Name: 2-ethylbutyl (3S,4aR,6R,8aR)-6-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate Openeye Name: 2-ethylbutyl (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate CAS Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate Traditional Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid 2-ethylbutyl ester Formula: C19H33N5O2 MolecularWeight: 363.49762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC(=O)C1CC2CC(CCC2CN1)CCC3=NNN=N3

Isomeric SMILES

CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1)CCC3=NNN=N3

InChI

InChI=1S/C19H33N5O2/c1-3-13(4-2)12-26-19(25)17-10-16-9-14(5-7-15(16)11-20-17)6-8-18-21-23-24-22-18/h13-17,20H,3-12H2,1-2H3,(H,21,22,23,24)/t14-,15+,16-,17+/m1/s1