3-butyl-6,8-bis(butylaminomethyl)-2,4-dihydro-1,3-benzoxazine-5,7-diol hydrochloride

Systemtic Name: 3-butyl-6,8-bis(butylaminomethyl)-2,4-dihydro-1,3-benzoxazine-5,7-diol hydrochloride Openeye Name: 3-butyl-6,8-bis(butylaminomethyl)-2,4-dihydro-1,3-benzoxazine-5,7-diol hydrochloride CAS Name: 3-butyl-6,8-bis(butylaminomethyl)-2,4-dihydro-1,3-benzoxazine-5,7-diol hydrochloride IUPAC Name: 3-butyl-6,8-bis(butylaminomethyl)-2,4-dihydro-1,3-benzoxazine-5,7-diol hydrochloride Traditional Name: 3-butyl-6,8-bis(butylaminomethyl)-2,4-dihydro-1,3-benzoxazine-5,7-diol hydrochloride Formula: C22H40ClN3O3 MolecularWeight: 430.0243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(C2=C(C(=C1O)CNCCCC)OCN(C2)CCCC)O.Cl

Isomeric SMILES

CCCCNCC1=C(C2=C(C(=C1O)CNCCCC)OCN(C2)CCCC)O.Cl

InChI

InChI=1S/C22H39N3O3.ClH/c1-4-7-10-23-13-17-20(26)18(14-24-11-8-5-2)22-19(21(17)27)15-25(16-28-22)12-9-6-3;/h23-24,26-27H,4-16H2,1-3H3;1H