methyl 3-aminocarbonyl-2-(3-morpholin-4-ylpropyl)-5-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-aminocarbonyl-2-(3-morpholin-4-ylpropyl)-5-pyrrol-1-yl-benzoate Openeye Name: methyl 3-carbamoyl-2-(3-morpholinopropyl)-5-pyrrol-1-yl-benzoate CAS Name: 3-carbamoyl-2-[3-(4-morpholinyl)propyl]-5-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-carbamoyl-2-(3-morpholin-4-ylpropyl)-5-pyrrol-1-ylbenzoate Traditional Name: 3-carbamoyl-2-(3-morpholinopropyl)-5-pyrrol-1-yl-benzoic acid methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC(=C1)N2C=CC=C2)C(=O)N)CCCN3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C(=CC(=C1)N2C=CC=C2)C(=O)N)CCCN3CCOCC3

InChI

InChI=1S/C20H25N3O4/c1-26-20(25)18-14-15(23-7-2-3-8-23)13-17(19(21)24)16(18)5-4-6-22-9-11-27-12-10-22/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H2,21,24)