4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoic acid

Systemtic Name: 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzoic acid Openeye Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoic acid CAS Name: 4-amino-3-(1-azepanylmethyl)-5-bromobenzoic acid IUPAC Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromobenzoic acid Traditional Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzoic acid Formula: C14H19BrN2O2 MolecularWeight: 327.21686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O2/c15-12-8-10(14(18)19)7-11(13(12)16)9-17-5-3-1-2-4-6-17/h7-8H,1-6,9,16H2,(H,18,19)