diethyl 6-oxidanylidene-3-(phenylmethyl)-2-propan-2-yl-cyclohepta[d]imidazole-5,7-dicarboxylate

Systemtic Name: diethyl 6-oxidanylidene-3-(phenylmethyl)-2-propan-2-yl-cyclohepta[d]imidazole-5,7-dicarboxylate Openeye Name: diethyl 3-benzyl-2-isopropyl-6-oxo-cyclohepta[d]imidazole-5,7-dicarboxylate CAS Name: 6-oxo-3-(phenylmethyl)-2-propan-2-ylcyclohepta[d]imidazole-5,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-benzyl-6-oxo-2-propan-2-ylcyclohepta[d]imidazole-5,7-dicarboxylate Traditional Name: 3-benzyl-2-isopropyl-6-keto-cyclohept[d]imidazole-5,7-dicarboxylic acid diethyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C(C1=O)C(=O)OCC)N(C(=N2)C(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C(C1=O)C(=O)OCC)N(C(=N2)C(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5/c1-5-30-23(28)17-12-19-20(13-18(21(17)27)24(29)31-6-2)26(22(25-19)15(3)4)14-16-10-8-7-9-11-16/h7-13,15H,5-6,14H2,1-4H3