methyl 2-oxidanyl-5-[1-oxidanyl-2-(5-phenylpentan-2-ylamino)ethyl]benzoate hydrochloride

Systemtic Name: methyl 2-oxidanyl-5-[1-oxidanyl-2-(5-phenylpentan-2-ylamino)ethyl]benzoate hydrochloride Openeye Name: methyl 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-4-phenyl-butyl)amino]ethyl]benzoate hydrochloride CAS Name: 2-hydroxy-5-[1-hydroxy-2-(5-phenylpentan-2-ylamino)ethyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-hydroxy-5-[1-hydroxy-2-(5-phenylpentan-2-ylamino)ethyl]benzoate hydrochloride Traditional Name: 2-hydroxy-5-[1-hydroxy-2-[(1-methyl-4-phenyl-butyl)amino]ethyl]benzoic acid methyl ester hydrochloride Formula: C21H28ClNO4 MolecularWeight: 393.90432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)OC)O.Cl

Isomeric SMILES

CC(CCCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)C(=O)OC)O.Cl

InChI

InChI=1S/C21H27NO4.ClH/c1-15(7-6-10-16-8-4-3-5-9-16)22-14-20(24)17-11-12-19(23)18(13-17)21(25)26-2;/h3-5,8-9,11-13,15,20,22-24H,6-7,10,14H2,1-2H3;1H