methyl 4-(1H-imidazol-5-ylmethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-(1H-imidazol-5-ylmethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Openeye Name: methyl 4-(1H-imidazol-5-ylmethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 4-[(1H-imidazol-5-ylmethylamino)-oxomethyl]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(1H-imidazol-5-ylmethylcarbamoyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 4-(1H-imidazol-5-ylmethylcarbamoyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)NCC2=CN=CN2)C(=O)OC)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C(=O)NCC2=CN=CN2)C(=O)OC)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H24N4O4/c1-17(19-8-7-18-5-3-4-6-20(18)12-19)11-25(32)31-24-13-21(9-10-23(24)27(34)35-2)26(33)29-15-22-14-28-16-30-22/h3-14,16H,15H2,1-2H3,(H,28,30)(H,29,33)(H,31,32)/b17-11-