ethyl 3-(2-chloranylpropanoylamino)-4-(3-fluorophenyl)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3-(2-chloranylpropanoylamino)-4-(3-fluorophenyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-3-(2-chloropropanoylamino)-4-(3-fluorophenyl)pyrrole-2-carboxylate CAS Name: 3-[(2-chloro-1-oxopropyl)amino]-4-(3-fluorophenyl)-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-(2-chloropropanoylamino)-4-(3-fluorophenyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-3-(2-chloropropanoylamino)-4-(3-fluorophenyl)pyrrole-2-carboxylic acid ethyl ester Formula: C23H22ClFN2O3 MolecularWeight: 428.883783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=CC=C3)F)NC(=O)C(C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1CC2=CC=CC=C2)C3=CC(=CC=C3)F)NC(=O)C(C)Cl

InChI

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