ethyl 1-cyclohexyl-2-methyl-5-oxidanyl-4-oxidanylidene-5-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 1-cyclohexyl-2-methyl-5-oxidanyl-4-oxidanylidene-5-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-benzyl-1-cyclohexyl-5-hydroxy-2-methyl-4-oxo-pyrrole-3-carboxylate CAS Name: 1-cyclohexyl-5-hydroxy-2-methyl-4-oxo-5-(phenylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-1-cyclohexyl-5-hydroxy-2-methyl-4-oxopyrrole-3-carboxylate Traditional Name: 5-benzyl-1-cyclohexyl-5-hydroxy-4-keto-2-methyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(C1=O)(CC2=CC=CC=C2)O)C3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(C1=O)(CC2=CC=CC=C2)O)C3CCCCC3)C

InChI

InChI=1S/C21H27NO4/c1-3-26-20(24)18-15(2)22(17-12-8-5-9-13-17)21(25,19(18)23)14-16-10-6-4-7-11-16/h4,6-7,10-11,17,25H,3,5,8-9,12-14H2,1-2H3