ethyl 4-[(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]benzoate Openeye Name: ethyl 4-[(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]benzoate CAS Name: 4-[[oxo-[(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]benzoate Traditional Name: 4-[(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamoylamino]benzoic acid ethyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2CCCC1CC(C2)NC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCN1C2CCCC1CC(C2)NC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H31N3O3/c1-3-12-24-18-6-5-7-19(24)14-17(13-18)23-21(26)22-16-10-8-15(9-11-16)20(25)27-4-2/h8-11,17-19H,3-7,12-14H2,1-2H3,(H2,22,23,26)