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

Systemtic Name: methyl 4-[4-aminocarbonyl-5-methyl-2-pentyl-1-(phenylmethyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-(1-benzyl-4-carbamoyl-5-methyl-2-pentyl-pyrrol-3-yl)benzoate CAS Name: 4-[4-carbamoyl-5-methyl-2-pentyl-1-(phenylmethyl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-(1-benzyl-4-carbamoyl-5-methyl-2-pentylpyrrol-3-yl)benzoate Traditional Name: 4-(2-amyl-1-benzyl-4-carbamoyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H30N2O3/c1-4-5-7-12-22-24(20-13-15-21(16-14-20)26(30)31-3)23(25(27)29)18(2)28(22)17-19-10-8-6-9-11-19/h6,8-11,13-16H,4-5,7,12,17H2,1-3H3,(H2,27,29)