[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-[cyclohexyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C23H27FN2O4 MolecularWeight: 414.469883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)N(CC2=CC=C(C=C2)F)C3CCCCC3)C

InChI

InChI=1S/C23H27FN2O4/c1-16(27)18-12-21(25(2)14-18)23(29)30-15-22(28)26(20-6-4-3-5-7-20)13-17-8-10-19(24)11-9-17/h8-12,14,20H,3-7,13,15H2,1-2H3