(3aS,6S)-3a-(dimethylamino)-6-oxidanyl-2,3-diphenyl-4,5,6,6a-tetrahydropentalen-1-one

Systemtic Name: (3aS,6S)-3a-(dimethylamino)-6-oxidanyl-2,3-diphenyl-4,5,6,6a-tetrahydropentalen-1-one Openeye Name: (3aS,6S)-3a-(dimethylamino)-6-hydroxy-2,3-diphenyl-4,5,6,6a-tetrahydropentalen-1-one CAS Name: (3aS,6S)-3a-(dimethylamino)-6-hydroxy-2,3-diphenyl-4,5,6,6a-tetrahydropentalen-1-one IUPAC Name: (3aS,6S)-3a-(dimethylamino)-6-hydroxy-2,3-diphenyl-4,5,6,6a-tetrahydropentalen-1-one Traditional Name: (3aS,6S)-3a-(dimethylamino)-6-hydroxy-2,3-diphenyl-4,5,6,6a-tetrahydropentalen-1-one Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C12CCC(C1C(=O)C(=C2C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CN(C)[C@@]12CC[C@@H](C1C(=O)C(=C2C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H23NO2/c1-23(2)22-14-13-17(24)20(22)21(25)18(15-9-5-3-6-10-15)19(22)16-11-7-4-8-12-16/h3-12,17,20,24H,13-14H2,1-2H3/t17-,20?,22+/m0/s1