[2-[[4-(morpholin-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[4-(morpholin-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[4-(morpholinomethyl)anilino]-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-[4-(4-morpholinylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-keto-2-[4-(morpholinomethyl)anilino]ethyl] ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CN3)Cl

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC(=CN3)Cl

InChI

InChI=1S/C18H20ClN3O4/c19-14-9-16(20-10-14)18(24)26-12-17(23)21-15-3-1-13(2-4-15)11-22-5-7-25-8-6-22/h1-4,9-10,20H,5-8,11-12H2,(H,21,23)