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

Systemtic Name: 4-chloranylbutyl 4-azanyl-3-bromanyl-5-[(butan-2-ylamino)methyl]benzoate Openeye Name: 4-chlorobutyl 4-amino-3-bromo-5-[(sec-butylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[(butan-2-ylamino)methyl]benzoic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 4-amino-3-bromo-5-[(butan-2-ylamino)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(sec-butylamino)methyl]benzoic acid 4-chlorobutyl ester Formula: C16H24BrClN2O2 MolecularWeight: 391.73096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrClN2O2/c1-3-11(2)20-10-13-8-12(9-14(17)15(13)19)16(21)22-7-5-4-6-18/h8-9,11,20H,3-7,10,19H2,1-2H3