methyl 4-[4-aminocarbonyl-2-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1-propan-2-yl-pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-2-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1-propan-2-yl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-isopropyl-2-(3-methoxy-3-oxo-propyl)-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-2-(3-methoxy-3-oxopropyl)-5-methyl-1-propan-2-yl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-2-(3-methoxy-3-oxopropyl)-5-methyl-1-propan-2-ylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-1-isopropyl-2-(3-keto-3-methoxy-propyl)-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C(C)C)CCC(=O)OC)C2=CC=C(C=C2)C(=O)OC)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1C(C)C)CCC(=O)OC)C2=CC=C(C=C2)C(=O)OC)C(=O)N

InChI

InChI=1S/C21H26N2O5/c1-12(2)23-13(3)18(20(22)25)19(16(23)10-11-17(24)27-4)14-6-8-15(9-7-14)21(26)28-5/h6-9,12H,10-11H2,1-5H3,(H2,22,25)