2-(8-azanyloctyl)bicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate

Systemtic Name: 2-(8-azanyloctyl)bicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate Openeye Name: 2-(8-aminooctyl)bicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate CAS Name: 2-(8-aminooctyl)-5-bicyclo[4.1.0]hepta-1,3,5-trienecarboxylate IUPAC Name: 2-(8-aminooctyl)bicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate Traditional Name: 2-(8-aminooctyl)bicyclo[4.1.0]hepta-1,3,5-triene-5-carboxylate Formula: C16H22NO2- MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C21)C(=O)[O-])CCCCCCCCN

Isomeric SMILES

C1C2=C(C=CC(=C21)C(=O)[O-])CCCCCCCCN

InChI

InChI=1S/C16H23NO2/c17-10-6-4-2-1-3-5-7-12-8-9-13(16(18)19)15-11-14(12)15/h8-9H,1-7,10-11,17H2,(H,18,19)/p-1