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

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(4-dimethylaminophenyl)-5-methyl-1-(3-oxidanylpropyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-3-(4-dimethylaminophenyl)-1-(3-hydroxypropyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-3-(4-dimethylaminophenyl)-1-(3-hydroxypropyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-3-(4-dimethylaminophenyl)-1-(3-hydroxypropyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(4-dimethylaminophenyl)-1-(3-hydroxypropyl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCCO)CCC(=O)OC)C2=CC=C(C=C2)N(C)C)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCCO)CCC(=O)OC)C2=CC=C(C=C2)N(C)C)C(=O)N

InChI

InChI=1S/C21H29N3O4/c1-14-19(21(22)27)20(15-6-8-16(9-7-15)23(2)3)17(10-11-18(26)28-4)24(14)12-5-13-25/h6-9,25H,5,10-13H2,1-4H3,(H2,22,27)