methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-pyridin-3-yl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-pyridin-3-yl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(3-pyridyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(3-pyridinyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-1-piperonyl-3-(3-pyridyl)pyrrol-2-yl]propionic acid methyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=CN=CC=C4)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=CN=CC=C4)C(=O)N

InChI

InChI=1S/C23H23N3O5/c1-14-21(23(24)28)22(16-4-3-9-25-11-16)17(6-8-20(27)29-2)26(14)12-15-5-7-18-19(10-15)31-13-30-18/h3-5,7,9-11H,6,8,12-13H2,1-2H3,(H2,24,28)