[2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-(5-tert-butyl-2-methoxy-anilino)-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-(5-tert-butyl-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-29(2,3)20-14-15-24(36-4)23(16-20)30-25(33)18-37-28(35)26-21-12-8-9-13-22(21)27(34)32(31-26)17-19-10-6-5-7-11-19/h5-16H,17-18H2,1-4H3,(H,30,33)