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

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(4-tert-butylphenyl)-5-methyl-1-phenethyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-5-methyl-1-phenethyl-pyrrol-2-yl]propanoate CAS Name: 3-[3-(4-tert-butylphenyl)-4-carbamoyl-5-methyl-1-phenethyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-5-methyl-1-phenethylpyrrol-2-yl]propanoate Traditional Name: 3-[3-(4-tert-butylphenyl)-4-carbamoyl-5-methyl-1-phenethyl-pyrrol-2-yl]propionic acid methyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

InChI

InChI=1S/C28H34N2O3/c1-19-25(27(29)32)26(21-11-13-22(14-12-21)28(2,3)4)23(15-16-24(31)33-5)30(19)18-17-20-9-7-6-8-10-20/h6-14H,15-18H2,1-5H3,(H2,29,32)