[4-[(4aS,8aS)-3-ethyl-2-methyl-4-oxidanylidene-6-(2-oxidanyl-2-phenyl-ethyl)-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-1-yl]-3,3-dimethyl-4-oxidanylidene-butyl] decanoate

Systemtic Name: [4-[(4aS,8aS)-3-ethyl-2-methyl-4-oxidanylidene-6-(2-oxidanyl-2-phenyl-ethyl)-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-1-yl]-3,3-dimethyl-4-oxidanylidene-butyl] decanoate Openeye Name: [4-[(4aS,8aS)-3-ethyl-6-(2-hydroxy-2-phenyl-ethyl)-2-methyl-4-oxo-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-1-yl]-3,3-dimethyl-4-oxo-butyl] decanoate CAS Name: decanoic acid [4-[(4aS,8aS)-3-ethyl-6-(2-hydroxy-2-phenylethyl)-2-methyl-4-oxo-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-1-yl]-3,3-dimethyl-4-oxobutyl] ester IUPAC Name: [4-[(4aS,8aS)-3-ethyl-6-(2-hydroxy-2-phenylethyl)-2-methyl-4-oxo-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-1-yl]-3,3-dimethyl-4-oxobutyl] decanoate Traditional Name: capric acid [4-[(4aS,8aS)-3-ethyl-6-(2-hydroxy-2-phenyl-ethyl)-4-keto-2-methyl-4a,5,7,8,8a,9-hexahydropyrrol[2,3-g]isoquinolin-1-yl]-4-keto-3,3-dimethyl-butyl] ester Formula: C38H56N2O5 MolecularWeight: 620.86164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCCC(C)(C)C(=O)N1C(=C(C2=C1CC3CCN(CC3C2=O)CC(C4=CC=CC=C4)O)CC)C

Isomeric SMILES

CCCCCCCCCC(=O)OCCC(C)(C)C(=O)N1C(=C(C2=C1C[C@@H]3CCN(C[C@H]3C2=O)CC(C4=CC=CC=C4)O)CC)C

InChI

InChI=1S/C38H56N2O5/c1-6-8-9-10-11-12-16-19-34(42)45-23-21-38(4,5)37(44)40-27(3)30(7-2)35-32(40)24-29-20-22-39(25-31(29)36(35)43)26-33(41)28-17-14-13-15-18-28/h13-15,17-18,29,31,33,41H,6-12,16,19-26H2,1-5H3/t29-,31+,33?/m0/s1