methyl 3-[4-aminocarbonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-phenethyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-phenethyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-phenethyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-phenethyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-phenethylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-phenethyl-pyrrol-2-yl]propionic acid methyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCC2=CC=CC=C2)CCC(=O)OC)C3=CC4=C(C=C3)OCCO4)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCC2=CC=CC=C2)CCC(=O)OC)C3=CC4=C(C=C3)OCCO4)C(=O)N

InChI

InChI=1S/C26H28N2O5/c1-17-24(26(27)30)25(19-8-10-21-22(16-19)33-15-14-32-21)20(9-11-23(29)31-2)28(17)13-12-18-6-4-3-5-7-18/h3-8,10,16H,9,11-15H2,1-2H3,(H2,27,30)