methyl 4-(4-aminocarbonyl-5-methyl-2-pentyl-1-phenethyl-pyrrol-3-yl)benzoate

Systemtic Name: methyl 4-(4-aminocarbonyl-5-methyl-2-pentyl-1-phenethyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(4-carbamoyl-5-methyl-2-pentyl-1-phenethyl-pyrrol-3-yl)benzoate CAS Name: 4-(4-carbamoyl-5-methyl-2-pentyl-1-phenethyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-carbamoyl-5-methyl-2-pentyl-1-phenethylpyrrol-3-yl)benzoate Traditional Name: 4-(2-amyl-4-carbamoyl-5-methyl-1-phenethyl-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(N1CCC2=CC=CC=C2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCC2=CC=CC=C2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H32N2O3/c1-4-5-7-12-23-25(21-13-15-22(16-14-21)27(31)32-3)24(26(28)30)19(2)29(23)18-17-20-10-8-6-9-11-20/h6,8-11,13-16H,4-5,7,12,17-18H2,1-3H3,(H2,28,30)