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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-3-(4-dimethylaminophenyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-dimethylaminophenyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-dimethylaminophenyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-3-(4-dimethylaminophenyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(4-dimethylaminophenyl)-5-methyl-1-piperonyl-pyrrol-2-yl]propionic acid methyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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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)N(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)N(C)C)C(=O)N

InChI

InChI=1S/C26H29N3O5/c1-16-24(26(27)31)25(18-6-8-19(9-7-18)28(2)3)20(10-12-23(30)32-4)29(16)14-17-5-11-21-22(13-17)34-15-33-21/h5-9,11,13H,10,12,14-15H2,1-4H3,(H2,27,31)