2-[3-(6-methylnaphthalen-2-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(6-methylnaphthalen-2-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(6-methyl-2-naphthyl)propanoylamino]benzoic acid CAS Name: 2-[[3-(6-methyl-2-naphthalenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(6-methylnaphthalen-2-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(6-methyl-2-naphthyl)propanoylamino]benzoic acid Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H19NO3/c1-14-6-9-17-13-15(7-10-16(17)12-14)8-11-20(23)22-19-5-3-2-4-18(19)21(24)25/h2-7,9-10,12-13H,8,11H2,1H3,(H,22,23)(H,24,25)