1-(4-heptoxyphenoxy)-3,3-dimethyl-2-[[(phenylmethyl)amino]methyl]butan-2-ol

Systemtic Name: 1-(4-heptoxyphenoxy)-3,3-dimethyl-2-[[(phenylmethyl)amino]methyl]butan-2-ol Openeye Name: 1-(benzylamino)-2-[(4-heptoxyphenoxy)methyl]-3,3-dimethyl-butan-2-ol CAS Name: 1-(4-heptoxyphenoxy)-3,3-dimethyl-2-[[(phenylmethyl)amino]methyl]-2-butanol IUPAC Name: 1-(benzylamino)-2-[(4-heptoxyphenoxy)methyl]-3,3-dimethylbutan-2-ol Traditional Name: 1-(benzylamino)-2-[(4-heptoxyphenoxy)methyl]-3,3-dimethyl-butan-2-ol Formula: C27H41NO3 MolecularWeight: 427.61934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OCC(CNCC2=CC=CC=C2)(C(C)(C)C)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OCC(CNCC2=CC=CC=C2)(C(C)(C)C)O

InChI

InChI=1S/C27H41NO3/c1-5-6-7-8-12-19-30-24-15-17-25(18-16-24)31-22-27(29,26(2,3)4)21-28-20-23-13-10-9-11-14-23/h9-11,13-18,28-29H,5-8,12,19-22H2,1-4H3