cyclododecyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: cyclododecyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: cyclododecyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid cyclododecyl ester IUPAC Name: cyclododecyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid cyclododecyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1CCCCCC(CCCCC1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O3/c31-27-25-20-14-13-19-24(25)26(29-30(27)21-22-15-9-8-10-16-22)28(32)33-23-17-11-6-4-2-1-3-5-7-12-18-23/h8-10,13-16,19-20,23H,1-7,11-12,17-18,21H2