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

Systemtic Name: methyl 4-[4-aminocarbonyl-2-butyl-1-[2-(4-methoxyphenyl)ethyl]-5-methyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[2-butyl-4-carbamoyl-1-[2-(4-methoxyphenyl)ethyl]-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[2-butyl-4-carbamoyl-1-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-butyl-4-carbamoyl-1-[2-(4-methoxyphenyl)ethyl]-5-methylpyrrol-3-yl]benzoate Traditional Name: 4-[2-butyl-4-carbamoyl-1-[2-(4-methoxyphenyl)ethyl]-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H32N2O4/c1-5-6-7-23-25(20-10-12-21(13-11-20)27(31)33-4)24(26(28)30)18(2)29(23)17-16-19-8-14-22(32-3)15-9-19/h8-15H,5-7,16-17H2,1-4H3,(H2,28,30)