2-[7-methyl-3-(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-ylidene]butanoate

Systemtic Name: 2-[7-methyl-3-(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-ylidene]butanoate Openeye Name: 2-(3-benzyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)butanoate CAS Name: 2-[7-methyl-3-(phenylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-ylidene]butanoate IUPAC Name: 2-(3-benzyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)butanoate Traditional Name: 2-(3-benzyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ylidene)butyrate Formula: C19H25N2O2- MolecularWeight: 313.414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C2CN(CC1CN(C2)CC3=CC=CC=C3)C)C(=O)[O-]

Isomeric SMILES

CCC(=C1C2CN(CC1CN(C2)CC3=CC=CC=C3)C)C(=O)[O-]

InChI

InChI=1S/C19H26N2O2/c1-3-17(19(22)23)18-15-10-20(2)11-16(18)13-21(12-15)9-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13H2,1-2H3,(H,22,23)/p-1