3-azanyl-4-(azepan-1-yl)benzoic acid

Systemtic Name: 3-azanyl-4-(azepan-1-yl)benzoic acid Openeye Name: 3-amino-4-(azepan-1-yl)benzoic acid CAS Name: 3-amino-4-(1-azepanyl)benzoic acid IUPAC Name: 3-amino-4-(azepan-1-yl)benzoic acid Traditional Name: 3-amino-4-(azepan-1-yl)benzoic acid Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)O)N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)O)N

InChI

InChI=1S/C13H18N2O2/c14-11-9-10(13(16)17)5-6-12(11)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,14H2,(H,16,17)