1-[3,6-bis(aminomethyl)-2-(3-butoxy-2-oxidanyl-propyl)phenyl]-3-butoxy-propan-2-ol

Systemtic Name: 1-[3,6-bis(aminomethyl)-2-(3-butoxy-2-oxidanyl-propyl)phenyl]-3-butoxy-propan-2-ol Openeye Name: 1-[3,6-bis(aminomethyl)-2-(3-butoxy-2-hydroxy-propyl)phenyl]-3-butoxy-propan-2-ol CAS Name: 1-[3,6-bis(aminomethyl)-2-(3-butoxy-2-hydroxypropyl)phenyl]-3-butoxy-2-propanol IUPAC Name: 1-[3,6-bis(aminomethyl)-2-(3-butoxy-2-hydroxypropyl)phenyl]-3-butoxypropan-2-ol Traditional Name: 1-[3,6-bis(aminomethyl)-2-(3-butoxy-2-hydroxy-propyl)phenyl]-3-butoxy-propan-2-ol Formula: C22H40N2O4 MolecularWeight: 396.564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CC1=C(C=CC(=C1CC(COCCCC)O)CN)CN)O

Isomeric SMILES

CCCCOCC(CC1=C(C=CC(=C1CC(COCCCC)O)CN)CN)O

InChI

InChI=1S/C22H40N2O4/c1-3-5-9-27-15-19(25)11-21-17(13-23)7-8-18(14-24)22(21)12-20(26)16-28-10-6-4-2/h7-8,19-20,25-26H,3-6,9-16,23-24H2,1-2H3