3-(3-methylbutanoylamino)naphthalene-2-carboxylate

Systemtic Name: 3-(3-methylbutanoylamino)naphthalene-2-carboxylate Openeye Name: 3-(3-methylbutanoylamino)naphthalene-2-carboxylate CAS Name: 3-[(3-methyl-1-oxobutyl)amino]-2-naphthalenecarboxylate IUPAC Name: 3-(3-methylbutanoylamino)naphthalene-2-carboxylate Traditional Name: 3-(isovalerylamino)-2-naphthoate Formula: C16H16NO3- MolecularWeight: 270.30314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC2=CC=CC=C2C=C1C(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC2=CC=CC=C2C=C1C(=O)[O-]

InChI

InChI=1S/C16H17NO3/c1-10(2)7-15(18)17-14-9-12-6-4-3-5-11(12)8-13(14)16(19)20/h3-6,8-10H,7H2,1-2H3,(H,17,18)(H,19,20)/p-1