4-(2,2-dimethylbutanoylamino)butyl naphthalene-2-carboxylate

Systemtic Name: 4-(2,2-dimethylbutanoylamino)butyl naphthalene-2-carboxylate Openeye Name: 4-(2,2-dimethylbutanoylamino)butyl naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid 4-[(2,2-dimethyl-1-oxobutyl)amino]butyl ester IUPAC Name: 4-(2,2-dimethylbutanoylamino)butyl naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid 4-(2,2-dimethylbutanoylamino)butyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NCCCCOC(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCC(C)(C)C(=O)NCCCCOC(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H27NO3/c1-4-21(2,3)20(24)22-13-7-8-14-25-19(23)18-12-11-16-9-5-6-10-17(16)15-18/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H,22,24)