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

Systemtic Name: methyl 4-[4-aminocarbonyl-5-methyl-1-(3-oxidanylpropyl)-2-pentyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-2-pentyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-2-pentyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-2-pentylpyrrol-3-yl]benzoate Traditional Name: 4-[2-amyl-4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CCCO)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCCO)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H30N2O4/c1-4-5-6-8-18-20(16-9-11-17(12-10-16)22(27)28-3)19(21(23)26)15(2)24(18)13-7-14-25/h9-12,25H,4-8,13-14H2,1-3H3,(H2,23,26)