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

Systemtic Name: methyl 4-[4-aminocarbonyl-1-[3-(dimethylamino)propyl]-5-methyl-2-propyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-[3-(dimethylamino)propyl]-5-methyl-2-propyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-[3-(dimethylamino)propyl]-5-methyl-2-propyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-[3-(dimethylamino)propyl]-5-methyl-2-propylpyrrol-3-yl]benzoate Traditional Name: 4-[4-carbamoyl-1-[3-(dimethylamino)propyl]-5-methyl-2-propyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CCCN(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=C(C(=C(N1CCCN(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H31N3O3/c1-6-8-18-20(16-9-11-17(12-10-16)22(27)28-5)19(21(23)26)15(2)25(18)14-7-13-24(3)4/h9-12H,6-8,13-14H2,1-5H3,(H2,23,26)