5-chloranylpentyl 4-azanyl-3-bromanyl-5-[(butan-2-ylamino)methyl]benzoate

Systemtic Name: 5-chloranylpentyl 4-azanyl-3-bromanyl-5-[(butan-2-ylamino)methyl]benzoate Openeye Name: 5-chloropentyl 4-amino-3-bromo-5-[(sec-butylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[(butan-2-ylamino)methyl]benzoic acid 5-chloropentyl ester IUPAC Name: 5-chloropentyl 4-amino-3-bromo-5-[(butan-2-ylamino)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(sec-butylamino)methyl]benzoic acid 5-chloropentyl ester Formula: C17H26BrClN2O2 MolecularWeight: 405.75754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=C(C(=CC(=C1)C(=O)OCCCCCCl)Br)N

Isomeric SMILES

CCC(C)NCC1=C(C(=CC(=C1)C(=O)OCCCCCCl)Br)N

InChI

InChI=1S/C17H26BrClN2O2/c1-3-12(2)21-11-14-9-13(10-15(18)16(14)20)17(22)23-8-6-4-5-7-19/h9-10,12,21H,3-8,11,20H2,1-2H3