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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-tert-butylphenyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-3-(4-tert-butylphenyl)-4-carbamoyl-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-3-(4-tert-butylphenyl)-4-carbamoyl-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-3-(4-tert-butylphenyl)-4-carbamoyl-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[3-(4-tert-butylphenyl)-4-carbamoyl-5-methyl-1-piperonyl-pyrrol-2-yl]propionic acid methyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O5/c1-17-25(27(29)32)26(19-7-9-20(10-8-19)28(2,3)4)21(11-13-24(31)33-5)30(17)15-18-6-12-22-23(14-18)35-16-34-22/h6-10,12,14H,11,13,15-16H2,1-5H3,(H2,29,32)