[(6aR,10aR)-3-heptan-2-yloxy-9-oxidanylidene-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] ethanoate

Systemtic Name: [(6aR,10aR)-3-heptan-2-yloxy-9-oxidanylidene-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] ethanoate Openeye Name: [(6aR,10aR)-3-(1-methylhexoxy)-9-oxo-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] acetate CAS Name: acetic acid [(6aR,10aR)-3-heptan-2-yloxy-9-oxo-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] ester IUPAC Name: [(6aR,10aR)-3-heptan-2-yloxy-9-oxo-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] acetate Traditional Name: acetic acid [(6aR,10aR)-9-keto-3-(1-methylhexoxy)-6,6a,7,8,10,10a-hexahydro-5H-phenanthridin-1-yl] ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC1=CC(=C2C3CC(=O)CCC3CNC2=C1)OC(=O)C

Isomeric SMILES

CCCCCC(C)OC1=CC(=C2[C@@H]3CC(=O)CC[C@H]3CNC2=C1)OC(=O)C

InChI

InChI=1S/C22H31NO4/c1-4-5-6-7-14(2)26-18-11-20-22(21(12-18)27-15(3)24)19-10-17(25)9-8-16(19)13-23-20/h11-12,14,16,19,23H,4-10,13H2,1-3H3/t14?,16-,19+/m0/s1