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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-butyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-butyl-4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-butyl-4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-butyl-4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[1-butyl-4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=CC3=C(C=C2)OCCO3)C(=O)N)C

Isomeric SMILES

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=CC3=C(C=C2)OCCO3)C(=O)N)C

InChI

InChI=1S/C22H28N2O5/c1-4-5-10-24-14(2)20(22(23)26)21(16(24)7-9-19(25)27-3)15-6-8-17-18(13-15)29-12-11-28-17/h6,8,13H,4-5,7,9-12H2,1-3H3,(H2,23,26)