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

Systemtic Name: methyl 4-[4-aminocarbonyl-5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-5-methyl-2-propyl-1-(2-pyridylmethyl)pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-5-methyl-2-propyl-1-(2-pyridinylmethyl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-5-methyl-2-propyl-1-(2-pyridylmethyl)pyrrol-3-yl]benzoic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=C(N1CC2=CC=CC=N2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H25N3O3/c1-4-7-19-21(16-9-11-17(12-10-16)23(28)29-3)20(22(24)27)15(2)26(19)14-18-8-5-6-13-25-18/h5-6,8-13H,4,7,14H2,1-3H3,(H2,24,27)