(3,3-dimethyl-2-oxidanylidene-butyl) 3-(cyclopropylcarbonylamino)naphthalene-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(cyclopropylcarbonylamino)naphthalene-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate CAS Name: 3-[[cyclopropyl(oxo)methyl]amino]-2-naphthalenecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate Traditional Name: 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC2=CC=CC=C2C=C1NC(=O)C3CC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC2=CC=CC=C2C=C1NC(=O)C3CC3

InChI

InChI=1S/C21H23NO4/c1-21(2,3)18(23)12-26-20(25)16-10-14-6-4-5-7-15(14)11-17(16)22-19(24)13-8-9-13/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,22,24)