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

Systemtic Name: methyl 4-[4-aminocarbonyl-2-butyl-5-methyl-1-(phenylmethyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-(1-benzyl-2-butyl-4-carbamoyl-5-methyl-pyrrol-3-yl)benzoate CAS Name: 4-[2-butyl-4-carbamoyl-5-methyl-1-(phenylmethyl)-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-(1-benzyl-2-butyl-4-carbamoyl-5-methylpyrrol-3-yl)benzoate Traditional Name: 4-(1-benzyl-2-butyl-4-carbamoyl-5-methyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H28N2O3/c1-4-5-11-21-23(19-12-14-20(15-13-19)25(29)30-3)22(24(26)28)17(2)27(21)16-18-9-7-6-8-10-18/h6-10,12-15H,4-5,11,16H2,1-3H3,(H2,26,28)