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

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-1-phenethyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-methyl-1-phenethyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-methyl-1-phenethyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1-phenethylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-methyl-1-phenethyl-pyrrol-2-yl]propionic acid methyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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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)CCC4=CC=CC=C4)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(N(C(=C3C(=O)N)C)CCC4=CC=CC=C4)CCC(=O)OC

InChI

InChI=1S/C29H32N4O4/c1-19-26(29(36)33(31(19)3)22-13-9-6-10-14-22)27-23(15-16-24(34)37-4)32(20(2)25(27)28(30)35)18-17-21-11-7-5-8-12-21/h5-14H,15-18H2,1-4H3,(H2,30,35)