5-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]-2,2-dimethyl-3,4,4a,5-tetrahydrochromen-4-ol

Systemtic Name: 5-[bis(4-dimethylaminophenyl)-oxidanyl-methyl]-2,2-dimethyl-3,4,4a,5-tetrahydrochromen-4-ol Openeye Name: 5-[bis(4-dimethylaminophenyl)-hydroxy-methyl]-2,2-dimethyl-3,4,4a,5-tetrahydrochromen-4-ol CAS Name: 5-[bis(4-dimethylaminophenyl)-hydroxymethyl]-2,2-dimethyl-3,4,4a,5-tetrahydro-1-benzopyran-4-ol IUPAC Name: 5-[bis(4-dimethylaminophenyl)-hydroxymethyl]-2,2-dimethyl-3,4,4a,5-tetrahydrochromen-4-ol Traditional Name: 5-[bis(4-dimethylaminophenyl)-hydroxy-methyl]-2,2-dimethyl-3,4,4a,5-tetrahydrochromen-4-ol Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2C(C=CC=C2O1)C(C3=CC=C(C=C3)N(C)C)(C4=CC=C(C=C4)N(C)C)O)O)C

Isomeric SMILES

CC1(CC(C2C(C=CC=C2O1)C(C3=CC=C(C=C3)N(C)C)(C4=CC=C(C=C4)N(C)C)O)O)C

InChI

InChI=1S/C28H36N2O3/c1-27(2)18-24(31)26-23(8-7-9-25(26)33-27)28(32,19-10-14-21(15-11-19)29(3)4)20-12-16-22(17-13-20)30(5)6/h7-17,23-24,26,31-32H,18H2,1-6H3