[1,5-bis(dibutylamino)-5-oxidanylidene-pentan-2-yl] benzoate hydrochloride

Systemtic Name: [1,5-bis(dibutylamino)-5-oxidanylidene-pentan-2-yl] benzoate hydrochloride Openeye Name: [4-(dibutylamino)-1-[(dibutylamino)methyl]-4-oxo-butyl] benzoate hydrochloride CAS Name: benzoic acid [1,5-bis(dibutylamino)-5-oxopentan-2-yl] ester hydrochloride IUPAC Name: [1,5-bis(dibutylamino)-5-oxopentan-2-yl] benzoate hydrochloride Traditional Name: benzoic acid [4-(dibutylamino)-1-[(dibutylamino)methyl]-4-keto-butyl] ester hydrochloride Formula: C28H49ClN2O3 MolecularWeight: 497.15326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC(CCC(=O)N(CCCC)CCCC)OC(=O)C1=CC=CC=C1.Cl

Isomeric SMILES

CCCCN(CCCC)CC(CCC(=O)N(CCCC)CCCC)OC(=O)C1=CC=CC=C1.Cl

InChI

InChI=1S/C28H48N2O3.ClH/c1-5-9-20-29(21-10-6-2)24-26(33-28(32)25-16-14-13-15-17-25)18-19-27(31)30(22-11-7-3)23-12-8-4;/h13-17,26H,5-12,18-24H2,1-4H3;1H