(phenylmethyl) 4-[4-[(2-aminophenyl)-ethanoyl-amino]-2-methyl-1H-imidazol-5-yl]benzoate

Systemtic Name: (phenylmethyl) 4-[4-[(2-aminophenyl)-ethanoyl-amino]-2-methyl-1H-imidazol-5-yl]benzoate Openeye Name: benzyl 4-[4-(N-acetyl-2-amino-anilino)-2-methyl-1H-imidazol-5-yl]benzoate CAS Name: 4-[4-(N-acetyl-2-aminoanilino)-2-methyl-1H-imidazol-5-yl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(N-acetyl-2-aminoanilino)-2-methyl-1H-imidazol-5-yl]benzoate Traditional Name: 4-[4-(N-acetyl-2-amino-anilino)-2-methyl-1H-imidazol-5-yl]benzoic acid benzyl ester Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)N(C4=CC=CC=C4N)C(=O)C

Isomeric SMILES

CC1=NC(=C(N1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)N(C4=CC=CC=C4N)C(=O)C

InChI

InChI=1S/C26H24N4O3/c1-17-28-24(25(29-17)30(18(2)31)23-11-7-6-10-22(23)27)20-12-14-21(15-13-20)26(32)33-16-19-8-4-3-5-9-19/h3-15H,16,27H2,1-2H3,(H,28,29)