2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione hydrochloride

Systemtic Name: 2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione hydrochloride Openeye Name: 2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione hydrochloride CAS Name: 2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione hydrochloride IUPAC Name: 2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione hydrochloride Traditional Name: 2,5-bis(ethylaminomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione hydrochloride Formula: C30H45ClN2O4 MolecularWeight: 533.1423

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(CCC(CNCC)C(=O)C2=CC=C(C=C2)OCCC)CNCC.Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(CCC(CNCC)C(=O)C2=CC=C(C=C2)OCCC)CNCC.Cl

InChI

InChI=1S/C30H44N2O4.ClH/c1-5-19-35-27-15-11-23(12-16-27)29(33)25(21-31-7-3)9-10-26(22-32-8-4)30(34)24-13-17-28(18-14-24)36-20-6-2;/h11-18,25-26,31-32H,5-10,19-22H2,1-4H3;1H