methyl 3-[4-aminocarbonyl-5-methyl-3-(2-methylphenyl)-1-phenethyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-5-methyl-3-(2-methylphenyl)-1-phenethyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-5-methyl-3-(o-tolyl)-1-phenethyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-5-methyl-3-(2-methylphenyl)-1-phenethyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-5-methyl-3-(2-methylphenyl)-1-phenethylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-3-(o-tolyl)-1-phenethyl-pyrrol-2-yl]propionic acid methyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(C(=C2C(=O)N)C)CCC3=CC=CC=C3)CCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=C2C(=O)N)C)CCC3=CC=CC=C3)CCC(=O)OC

InChI

InChI=1S/C25H28N2O3/c1-17-9-7-8-12-20(17)24-21(13-14-22(28)30-3)27(18(2)23(24)25(26)29)16-15-19-10-5-4-6-11-19/h4-12H,13-16H2,1-3H3,(H2,26,29)