(8S,8aR)-6-chloranyl-8-[(4-methylpiperidin-1-yl)methyl]-2-oxidanyl-4-phenyl-8,8a-dihydrochromen-7-one

Systemtic Name: (8S,8aR)-6-chloranyl-8-[(4-methylpiperidin-1-yl)methyl]-2-oxidanyl-4-phenyl-8,8a-dihydrochromen-7-one Openeye Name: (8S,8aR)-6-chloro-2-hydroxy-8-[(4-methyl-1-piperidyl)methyl]-4-phenyl-8,8a-dihydrochromen-7-one CAS Name: (8S,8aR)-6-chloro-2-hydroxy-8-[(4-methyl-1-piperidinyl)methyl]-4-phenyl-8,8a-dihydro-1-benzopyran-7-one IUPAC Name: (8S,8aR)-6-chloro-2-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-8,8a-dihydrochromen-7-one Traditional Name: (8S,8aR)-6-chloro-2-hydroxy-8-[(4-methylpiperidino)methyl]-4-phenyl-8,8a-dihydrochromen-7-one Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2C3C(=C(C=C(O3)O)C4=CC=CC=C4)C=C(C2=O)Cl

Isomeric SMILES

CC1CCN(CC1)C[C@H]2[C@@H]3C(=C(C=C(O3)O)C4=CC=CC=C4)C=C(C2=O)Cl

InChI

InChI=1S/C22H24ClNO3/c1-14-7-9-24(10-8-14)13-18-21(26)19(23)11-17-16(12-20(25)27-22(17)18)15-5-3-2-4-6-15/h2-6,11-12,14,18,22,25H,7-10,13H2,1H3/t18-,22+/m1/s1