4a-(2-dimethylaminoethyl)-5,6-bis(oxidanyl)-1,2,4,10a-tetrahydrophenanthren-3-one

Systemtic Name: 4a-(2-dimethylaminoethyl)-5,6-bis(oxidanyl)-1,2,4,10a-tetrahydrophenanthren-3-one Openeye Name: 4a-(2-dimethylaminoethyl)-5,6-dihydroxy-1,2,4,10a-tetrahydrophenanthren-3-one CAS Name: 4a-(2-dimethylaminoethyl)-5,6-dihydroxy-1,2,4,10a-tetrahydrophenanthren-3-one IUPAC Name: 4a-(2-dimethylaminoethyl)-5,6-dihydroxy-1,2,4,10a-tetrahydrophenanthren-3-one Traditional Name: 4a-(2-dimethylaminoethyl)-5,6-dihydroxy-1,2,4,10a-tetrahydrophenanthren-3-one Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC12CC(=O)CCC1C=CC3=C2C(=C(C=C3)O)O

Isomeric SMILES

CN(C)CCC12CC(=O)CCC1C=CC3=C2C(=C(C=C3)O)O

InChI

InChI=1S/C18H23NO3/c1-19(2)10-9-18-11-14(20)7-6-13(18)5-3-12-4-8-15(21)17(22)16(12)18/h3-5,8,13,21-22H,6-7,9-11H2,1-2H3