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

Systemtic Name: methyl 4-[4-aminocarbonyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-5-methyl-1-(m-tolylmethyl)-2-propyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-5-methyl-1-(3-methylbenzyl)-2-propyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CC2=CC=CC(=C2)C)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=C(N1CC2=CC=CC(=C2)C)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

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