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

Systemtic Name: diethyl 6-oxidanylidene-3-(phenylmethyl)-2-propan-2-yl-cyclohepta[d]imidazole-5,7-dicarboxylate hydrochloride Openeye Name: diethyl 3-benzyl-2-isopropyl-6-oxo-cyclohepta[d]imidazole-5,7-dicarboxylate hydrochloride CAS Name: 6-oxo-3-(phenylmethyl)-2-propan-2-ylcyclohepta[d]imidazole-5,7-dicarboxylic acid diethyl ester hydrochloride IUPAC Name: diethyl 3-benzyl-6-oxo-2-propan-2-ylcyclohepta[d]imidazole-5,7-dicarboxylate hydrochloride Traditional Name: 3-benzyl-2-isopropyl-6-keto-cyclohept[d]imidazole-5,7-dicarboxylic acid diethyl ester hydrochloride Formula: C24H27ClN2O5 MolecularWeight: 458.93458

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5.ClH/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;1H