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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-quinolin-2-yl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(2-quinolyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(2-quinolinyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-quinolin-2-ylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-1-piperonyl-3-(2-quinolyl)pyrrol-2-yl]propionic acid methyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=NC5=CC=CC=C5C=C4)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=NC5=CC=CC=C5C=C4)C(=O)N

InChI

InChI=1S/C27H25N3O5/c1-16-25(27(28)32)26(20-9-8-18-5-3-4-6-19(18)29-20)21(10-12-24(31)33-2)30(16)14-17-7-11-22-23(13-17)35-15-34-22/h3-9,11,13H,10,12,14-15H2,1-2H3,(H2,28,32)