2,3-bis(oxidanyl)propyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate

Systemtic Name: 2,3-bis(oxidanyl)propyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: 2,3-dihydroxypropyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid glyceryl ester Formula: C19H29BrN2O4 MolecularWeight: 429.34856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCC(CO)O)Br)N

Isomeric SMILES

CCC1(CCCCC1)NCC2=C(C(=CC(=C2)C(=O)OCC(CO)O)Br)N

InChI

InChI=1S/C19H29BrN2O4/c1-2-19(6-4-3-5-7-19)22-10-14-8-13(9-16(20)17(14)21)18(25)26-12-15(24)11-23/h8-9,15,22-24H,2-7,10-12,21H2,1H3