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

Systemtic Name: methyl 4-[4-aminocarbonyl-5-methyl-2-pentyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-5-methyl-2-pentyl-1-(2-pyridylmethyl)pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-5-methyl-2-pentyl-1-(2-pyridinylmethyl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-5-methyl-2-pentyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]benzoate Traditional Name: 4-[2-amyl-4-carbamoyl-5-methyl-1-(2-pyridylmethyl)pyrrol-3-yl]benzoic acid methyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H29N3O3/c1-4-5-6-10-21-23(18-11-13-19(14-12-18)25(30)31-3)22(24(26)29)17(2)28(21)16-20-9-7-8-15-27-20/h7-9,11-15H,4-6,10,16H2,1-3H3,(H2,26,29)