ethyl 1-[3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[3-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-oxidanylidene-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[3-(3-chloro-4-fluoro-anilino)-3-oxo-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-(3-chloro-4-fluoro-anilino)-3-keto-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H22ClFN2O3 MolecularWeight: 428.883783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC(=O)NC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC(=O)NC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C23H22ClFN2O3/c1-3-30-23(29)18-14-21(16-7-5-4-6-8-16)27(15(18)2)12-11-22(28)26-17-9-10-20(25)19(24)13-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,28)