ethyl 1-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(cycloheptylamino)-2-oxo-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate CAS Name: 1-[2-(cycloheptylamino)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxylate Traditional Name: 1-[2-(cycloheptylamino)-2-keto-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H29FN2O3 MolecularWeight: 400.486363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)NC3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)NC3CCCCCC3)C

InChI

InChI=1S/C23H29FN2O3/c1-3-29-23(28)20-14-21(17-10-12-18(24)13-11-17)26(16(20)2)15-22(27)25-19-8-6-4-5-7-9-19/h10-14,19H,3-9,15H2,1-2H3,(H,25,27)