(9S)-9-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione

Systemtic Name: (9S)-9-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione Openeye Name: (9S)-9-(3-ethoxy-4-prop-2-ynoxy-phenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione CAS Name: (9S)-9-(3-ethoxy-4-prop-2-ynoxyphenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione IUPAC Name: (9S)-9-(3-ethoxy-4-prop-2-ynoxyphenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-dione Traditional Name: (9S)-9-(3-ethoxy-4-propargyloxy-phenyl)-2,3,4,5,6,7,8a,9-octahydroacridine-1,8-quinone Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2C3C(=NC4=C2C(=O)CCC4)CCCC3=O)OCC#C

InChI

InChI=1S/C24H25NO4/c1-3-13-29-20-12-11-15(14-21(20)28-4-2)22-23-16(7-5-9-18(23)26)25-17-8-6-10-19(27)24(17)22/h1,11-12,14,22-23H,4-10,13H2,2H3/t22-,23?/m1/s1