methyl 4-[4-aminocarbonyl-2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-2,5-dimethyl-1-(3-morpholinopropyl)pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-2,5-dimethyl-1-[3-(4-morpholinyl)propyl]-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-2,5-dimethyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-2,5-dimethyl-1-(3-morpholinopropyl)pyrrol-3-yl]benzoic acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCCN2CCOCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1CCCN2CCOCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H29N3O4/c1-15-19(17-5-7-18(8-6-17)22(27)28-3)20(21(23)26)16(2)25(15)10-4-9-24-11-13-29-14-12-24/h5-8H,4,9-14H2,1-3H3,(H2,23,26)