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

Systemtic Name: methyl 4-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-propyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-2-propyl-pyrrol-3-yl]benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-2-propyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl]benzoate Traditional Name: 4-(4-carbamoyl-5-methyl-1-piperonyl-2-propyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H26N2O5/c1-4-5-19-23(17-7-9-18(10-8-17)25(29)30-3)22(24(26)28)15(2)27(19)13-16-6-11-20-21(12-16)32-14-31-20/h6-12H,4-5,13-14H2,1-3H3,(H2,26,28)