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

Systemtic Name: methyl 4-[4-aminocarbonyl-2-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-1-(3-oxidanylpropyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-(3-hydroxypropyl)-2-(3-methoxy-3-oxo-propyl)-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-(3-hydroxypropyl)-2-(3-methoxy-3-oxopropyl)-5-methyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-(3-hydroxypropyl)-2-(3-methoxy-3-oxopropyl)-5-methylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-1-(3-hydroxypropyl)-2-(3-keto-3-methoxy-propyl)-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCCO)CCC(=O)OC)C2=CC=C(C=C2)C(=O)OC)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCCO)CCC(=O)OC)C2=CC=C(C=C2)C(=O)OC)C(=O)N

InChI

InChI=1S/C21H26N2O6/c1-13-18(20(22)26)19(14-5-7-15(8-6-14)21(27)29-3)16(9-10-17(25)28-2)23(13)11-4-12-24/h5-8,24H,4,9-12H2,1-3H3,(H2,22,26)