2-(octan-2-ylamino)ethyl benzoate hydrochloride

Systemtic Name: 2-(octan-2-ylamino)ethyl benzoate hydrochloride Openeye Name: 2-(1-methylheptylamino)ethyl benzoate hydrochloride CAS Name: benzoic acid 2-(octan-2-ylamino)ethyl ester hydrochloride IUPAC Name: 2-(octan-2-ylamino)ethyl benzoate hydrochloride Traditional Name: benzoic acid 2-(1-methylheptylamino)ethyl ester hydrochloride Formula: C17H28ClNO2 MolecularWeight: 313.86272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NCCOC(=O)C1=CC=CC=C1.Cl

Isomeric SMILES

CCCCCCC(C)NCCOC(=O)C1=CC=CC=C1.Cl

InChI

InChI=1S/C17H27NO2.ClH/c1-3-4-5-7-10-15(2)18-13-14-20-17(19)16-11-8-6-9-12-16;/h6,8-9,11-12,15,18H,3-5,7,10,13-14H2,1-2H3;1H