2-chloroethyl 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoate

Systemtic Name: 2-chloroethyl 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoate Openeye Name: 2-chloroethyl 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoate CAS Name: 4-amino-3-(1-azepanylmethyl)-5-bromobenzoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 4-amino-3-(azepan-1-ylmethyl)-5-bromobenzoate Traditional Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoic acid 2-chloroethyl ester Formula: C16H22BrClN2O2 MolecularWeight: 389.71508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCCl)Br)N

Isomeric SMILES

C1CCCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCCl)Br)N

InChI

InChI=1S/C16H22BrClN2O2/c17-14-10-12(16(21)22-8-5-18)9-13(15(14)19)11-20-6-3-1-2-4-7-20/h9-10H,1-8,11,19H2