4-[10-(1-butyl-1,2-diaziridin-3-yl)decyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-7-ol

Systemtic Name: 4-[10-(1-butyl-1,2-diaziridin-3-yl)decyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-7-ol Openeye Name: 4-[10-(1-butyldiaziridin-3-yl)decyl]-3-(4-hydroxyphenyl)-3-methyl-chroman-7-ol CAS Name: 4-[10-(1-butyl-3-diaziridinyl)decyl]-3-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: 4-[10-(1-butyldiaziridin-3-yl)decyl]-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrochromen-7-ol Traditional Name: 4-[10-(1-butyldiaziridin-3-yl)decyl]-3-(4-hydroxyphenyl)-3-methyl-chroman-7-ol Formula: C31H46N2O3 MolecularWeight: 494.70854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(N1)CCCCCCCCCCC2C3=C(C=C(C=C3)O)OCC2(C)C4=CC=C(C=C4)O

Isomeric SMILES

CCCCN1C(N1)CCCCCCCCCCC2C3=C(C=C(C=C3)O)OCC2(C)C4=CC=C(C=C4)O

InChI

InChI=1S/C31H46N2O3/c1-3-4-21-33-30(32-33)14-12-10-8-6-5-7-9-11-13-28-27-20-19-26(35)22-29(27)36-23-31(28,2)24-15-17-25(34)18-16-24/h15-20,22,28,30,32,34-35H,3-14,21,23H2,1-2H3