methyl 3-[4-aminocarbonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-(3-oxidanylpropyl)pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-(3-oxidanylpropyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-hydroxypropyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-hydroxypropyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-hydroxypropyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-hydroxypropyl)-5-methyl-pyrrol-2-yl]propionic 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=CC3=C(C=C2)OCCO3)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCCO)CCC(=O)OC)C2=CC3=C(C=C2)OCCO3)C(=O)N

InChI

InChI=1S/C21H26N2O6/c1-13-19(21(22)26)20(14-4-6-16-17(12-14)29-11-10-28-16)15(5-7-18(25)27-2)23(13)8-3-9-24/h4,6,12,24H,3,5,7-11H2,1-2H3,(H2,22,26)