methyl 2-[3-(6-acetamido-5-bromanyl-naphthalen-2-yl)propanoylamino]benzoate

Systemtic Name: methyl 2-[3-(6-acetamido-5-bromanyl-naphthalen-2-yl)propanoylamino]benzoate Openeye Name: methyl 2-[3-(6-acetamido-5-bromo-2-naphthyl)propanoylamino]benzoate CAS Name: 2-[[3-(6-acetamido-5-bromo-2-naphthalenyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(6-acetamido-5-bromonaphthalen-2-yl)propanoylamino]benzoate Traditional Name: 2-[3-(6-acetamido-5-bromo-2-naphthyl)propanoylamino]benzoic acid methyl ester Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)OC)Br

Isomeric SMILES

CC(=O)NC1=C(C2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)OC)Br

InChI

InChI=1S/C23H21BrN2O4/c1-14(27)25-20-11-9-16-13-15(7-10-17(16)22(20)24)8-12-21(28)26-19-6-4-3-5-18(19)23(29)30-2/h3-7,9-11,13H,8,12H2,1-2H3,(H,25,27)(H,26,28)