methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-methyl-1-piperonyl-pyrrol-2-yl]propionic acid methyl ester Formula: C29H30N4O6 MolecularWeight: 530.5717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(N(C(=C3C(=O)N)C)CC4=CC5=C(C=C4)OCO5)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(N(C(=C3C(=O)N)C)CC4=CC5=C(C=C4)OCO5)CCC(=O)OC

InChI

InChI=1S/C29H30N4O6/c1-17-26(29(36)33(31(17)3)20-8-6-5-7-9-20)27-21(11-13-24(34)37-4)32(18(2)25(27)28(30)35)15-19-10-12-22-23(14-19)39-16-38-22/h5-10,12,14H,11,13,15-16H2,1-4H3,(H2,30,35)