3-(3-methylbutanoylamino)naphthalene-2-carboxylic acid

Systemtic Name: 3-(3-methylbutanoylamino)naphthalene-2-carboxylic acid Openeye Name: 3-(3-methylbutanoylamino)naphthalene-2-carboxylic acid CAS Name: 3-[(3-methyl-1-oxobutyl)amino]-2-naphthalenecarboxylic acid IUPAC Name: 3-(3-methylbutanoylamino)naphthalene-2-carboxylic acid Traditional Name: 3-(isovalerylamino)-2-naphthoic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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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)