methyl 3-[4-aminocarbonyl-1-butyl-3-(4-dimethylaminophenyl)-5-methyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-1-butyl-3-(4-dimethylaminophenyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-butyl-4-carbamoyl-3-(4-dimethylaminophenyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-butyl-4-carbamoyl-3-(4-dimethylaminophenyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-butyl-4-carbamoyl-3-(4-dimethylaminophenyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[1-butyl-4-carbamoyl-3-(4-dimethylaminophenyl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=CC=C(C=C2)N(C)C)C(=O)N)C

Isomeric SMILES

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=CC=C(C=C2)N(C)C)C(=O)N)C

InChI

InChI=1S/C22H31N3O3/c1-6-7-14-25-15(2)20(22(23)27)21(18(25)12-13-19(26)28-5)16-8-10-17(11-9-16)24(3)4/h8-11H,6-7,12-14H2,1-5H3,(H2,23,27)