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

Systemtic Name: methyl 4-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-pentyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-2-pentyl-pyrrol-3-yl]benzoate CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-2-pentyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-2-pentylpyrrol-3-yl]benzoate Traditional Name: 4-(2-amyl-4-carbamoyl-5-methyl-1-piperonyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H30N2O5/c1-4-5-6-7-21-25(19-9-11-20(12-10-19)27(31)32-3)24(26(28)30)17(2)29(21)15-18-8-13-22-23(14-18)34-16-33-22/h8-14H,4-7,15-16H2,1-3H3,(H2,28,30)