[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-oxidanylcyclobutane-1-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-oxidanylcyclobutane-1-carboxylate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 1-hydroxycyclobutanecarboxylate CAS Name: 1-hydroxy-1-cyclobutanecarboxylic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 1-hydroxycyclobutane-1-carboxylate Traditional Name: 1-hydroxycyclobutanecarboxylic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3(CCC3)O

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)C3(CCC3)O

InChI

InChI=1S/C21H25NO4/c1-15-13-18(19(23)14-26-20(24)21(25)10-6-11-21)16(2)22(15)12-9-17-7-4-3-5-8-17/h3-5,7-8,13,25H,6,9-12,14H2,1-2H3