(8aR,9R)-9-(5-chloranyl-2-prop-2-ynoxy-phenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione

Systemtic Name: (8aR,9R)-9-(5-chloranyl-2-prop-2-ynoxy-phenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione Openeye Name: (8aR,9R)-9-(5-chloro-2-prop-2-ynoxy-phenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione CAS Name: (8aR,9R)-9-(5-chloro-2-prop-2-ynoxyphenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione IUPAC Name: (8aR,9R)-9-(5-chloro-2-prop-2-ynoxyphenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione Traditional Name: (8aR,9R)-9-(5-chloro-2-propargyloxy-phenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-quinone Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Cl)C2C3C(=NC4=C2C(=O)CCC4)CCCC3=O

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Cl)[C@H]2[C@@H]3C(=NC4=C2C(=O)CCC4)CCCC3=O

InChI

InChI=1S/C22H20ClNO3/c1-2-11-27-19-10-9-13(23)12-14(19)20-21-15(5-3-7-17(21)25)24-16-6-4-8-18(26)22(16)20/h1,9-10,12,20-21H,3-8,11H2/t20-,21+/m0/s1