[4-[(4aS,8aS)-3-ethyl-2-methyl-4-oxidanylidene-6-phenethyl-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-phenethyl-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-2-methyl-4-oxo-6-phenethyl-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-2-methyl-4-oxo-6-phenethyl-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-2-methyl-4-oxo-6-phenethyl-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-4-keto-2-methyl-6-phenethyl-4a,5,7,8,8a,9-hexahydropyrrol[2,3-g]isoquinolin-1-yl]-4-keto-3,3-dimethyl-butyl] ester Formula: C38H56N2O4 MolecularWeight: 604.86224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCCC(C)(C)C(=O)N1C(=C(C2=C1CC3CCN(CC3C2=O)CCC4=CC=CC=C4)CC)C

Isomeric SMILES

CCCCCCCCCC(=O)OCCC(C)(C)C(=O)N1C(=C(C2=C1C[C@@H]3CCN(C[C@H]3C2=O)CCC4=CC=CC=C4)CC)C

InChI

InChI=1S/C38H56N2O4/c1-6-8-9-10-11-12-16-19-34(41)44-25-22-38(4,5)37(43)40-28(3)31(7-2)35-33(40)26-30-21-24-39(27-32(30)36(35)42)23-20-29-17-14-13-15-18-29/h13-15,17-18,30,32H,6-12,16,19-27H2,1-5H3/t30-,32+/m0/s1