2-(butan-2-ylamino)ethyl 5-azanyl-2-chloranyl-benzoate hydrochloride

Systemtic Name: 2-(butan-2-ylamino)ethyl 5-azanyl-2-chloranyl-benzoate hydrochloride Openeye Name: 2-(sec-butylamino)ethyl 5-amino-2-chloro-benzoate hydrochloride CAS Name: 5-amino-2-chlorobenzoic acid 2-(butan-2-ylamino)ethyl ester hydrochloride IUPAC Name: 2-(butan-2-ylamino)ethyl 5-amino-2-chlorobenzoate hydrochloride Traditional Name: 5-amino-2-chloro-benzoic acid 2-(sec-butylamino)ethyl ester hydrochloride Formula: C13H20Cl2N2O2 MolecularWeight: 307.2161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCOC(=O)C1=C(C=CC(=C1)N)Cl.Cl

Isomeric SMILES

CCC(C)NCCOC(=O)C1=C(C=CC(=C1)N)Cl.Cl

InChI

InChI=1S/C13H19ClN2O2.ClH/c1-3-9(2)16-6-7-18-13(17)11-8-10(15)4-5-12(11)14;/h4-5,8-9,16H,3,6-7,15H2,1-2H3;1H