propan-2-yl 3-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[(9-oxidanylidene-3-bicyclo[3.3.1]nonanyl)carbonylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: 3-[[oxo-(9-oxo-3-bicyclo[3.3.1]nonanyl)methyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: 3-[(9-ketobicyclo[3.3.1]nonane-3-carbonyl)amino]-3-phenyl-propionic acid isopropyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2CC3CCCC(C2)C3=O

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)C2CC3CCCC(C2)C3=O

InChI

InChI=1S/C22H29NO4/c1-14(2)27-20(24)13-19(15-7-4-3-5-8-15)23-22(26)18-11-16-9-6-10-17(12-18)21(16)25/h3-5,7-8,14,16-19H,6,9-13H2,1-2H3,(H,23,26)