methyl 3-(3-morpholin-4-ylpropylcarbamoyl)-5-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-(3-morpholin-4-ylpropylcarbamoyl)-5-pyrrol-1-yl-benzoate Openeye Name: methyl 3-(3-morpholinopropylcarbamoyl)-5-pyrrol-1-yl-benzoate CAS Name: 3-[[3-(4-morpholinyl)propylamino]-oxomethyl]-5-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-morpholin-4-ylpropylcarbamoyl)-5-pyrrol-1-ylbenzoate Traditional Name: 3-(3-morpholinopropylcarbamoyl)-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=CC(=CC(=C1)C(=O)NCCCN2CCOCC2)N3C=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCOCC2)N3C=CC=C3

InChI

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