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

Systemtic Name: methyl 4-[4-aminocarbonyl-5-methyl-1-[(3-methylphenyl)methyl]-2-pentyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-5-methyl-1-(m-tolylmethyl)-2-pentyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-5-methyl-1-[(3-methylphenyl)methyl]-2-pentyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-5-methyl-1-[(3-methylphenyl)methyl]-2-pentylpyrrol-3-yl]benzoate Traditional Name: 4-[2-amyl-4-carbamoyl-5-methyl-1-(3-methylbenzyl)pyrrol-3-yl]benzoic acid methyl ester Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3/c1-5-6-7-11-23-25(21-12-14-22(15-13-21)27(31)32-4)24(26(28)30)19(3)29(23)17-20-10-8-9-18(2)16-20/h8-10,12-16H,5-7,11,17H2,1-4H3,(H2,28,30)