2-oxidanylpropyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate

Systemtic Name: 2-oxidanylpropyl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: 2-hydroxypropyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 2-hydroxypropyl ester IUPAC Name: 2-hydroxypropyl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 2-hydroxypropyl ester Formula: C19H29BrN2O3 MolecularWeight: 413.34916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29BrN2O3/c1-3-19(7-5-4-6-8-19)22-11-15-9-14(10-16(20)17(15)21)18(24)25-12-13(2)23/h9-10,13,22-23H,3-8,11-12,21H2,1-2H3