(4-methylphenyl)methyl 4-(3-imidazol-1-ylcarbonyl-2-oxidanyl-naphthalen-1-yl)-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: (4-methylphenyl)methyl 4-(3-imidazol-1-ylcarbonyl-2-oxidanyl-naphthalen-1-yl)-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: p-tolylmethyl 3-hydroxy-4-[2-hydroxy-3-(imidazole-1-carbonyl)-1-naphthyl]naphthalene-2-carboxylate CAS Name: 3-hydroxy-4-[2-hydroxy-3-[1-imidazolyl(oxo)methyl]-1-naphthalenyl]-2-naphthalenecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 3-hydroxy-4-[2-hydroxy-3-(imidazole-1-carbonyl)naphthalen-1-yl]naphthalene-2-carboxylate Traditional Name: 3-hydroxy-4-[2-hydroxy-3-(imidazole-1-carbonyl)-1-naphthyl]naphthalene-2-carboxylic acid (4-methylbenzyl) ester Formula: C33H24N2O5 MolecularWeight: 528.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C(=O)N6C=CN=C6)O

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C(=O)N6C=CN=C6)O

InChI

InChI=1S/C33H24N2O5/c1-20-10-12-21(13-11-20)18-40-33(39)27-17-23-7-3-5-9-25(23)29(31(27)37)28-24-8-4-2-6-22(24)16-26(30(28)36)32(38)35-15-14-34-19-35/h2-17,19,36-37H,18H2,1H3