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

Systemtic Name: methyl 4-[4-aminocarbonyl-5-methyl-1-(3-oxidanylpropyl)-2-propyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-2-propyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-2-propyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-2-propylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-2-propyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CCCO)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=C(N1CCCO)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H26N2O4/c1-4-6-16-18(14-7-9-15(10-8-14)20(25)26-3)17(19(21)24)13(2)22(16)11-5-12-23/h7-10,23H,4-6,11-12H2,1-3H3,(H2,21,24)