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

Systemtic Name: methyl 4-[4-aminocarbonyl-1-[3-(dimethylamino)propyl]-5-methyl-2-pentyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[4-carbamoyl-1-[3-(dimethylamino)propyl]-5-methyl-2-pentyl-pyrrol-3-yl]benzoate CAS Name: 4-[4-carbamoyl-1-[3-(dimethylamino)propyl]-5-methyl-2-pentyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-carbamoyl-1-[3-(dimethylamino)propyl]-5-methyl-2-pentylpyrrol-3-yl]benzoate Traditional Name: 4-[2-amyl-4-carbamoyl-1-[3-(dimethylamino)propyl]-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C24H35N3O3 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CCCN(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCCN(C)C)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C24H35N3O3/c1-6-7-8-10-20-22(18-11-13-19(14-12-18)24(29)30-5)21(23(25)28)17(2)27(20)16-9-15-26(3)4/h11-14H,6-10,15-16H2,1-5H3,(H2,25,28)