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

Systemtic Name: 3-oxidanylbutan-2-yl 4-azanyl-3-bromanyl-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Openeye Name: (2-hydroxy-1-methyl-propyl) 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid 3-hydroxybutan-2-yl ester IUPAC Name: 3-hydroxybutan-2-yl 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[(1-ethylcyclohexyl)amino]methyl]benzoic acid (2-hydroxy-1-methyl-propyl) ester Formula: C20H31BrN2O3 MolecularWeight: 427.37574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31BrN2O3/c1-4-20(8-6-5-7-9-20)23-12-16-10-15(11-17(21)18(16)22)19(25)26-14(3)13(2)24/h10-11,13-14,23-24H,4-9,12,22H2,1-3H3