methyl 3-[4-aminocarbonyl-1-(cyclohexylmethyl)-3-(3-fluorophenyl)-5-methyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(cyclohexylmethyl)-3-(3-fluorophenyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(3-fluorophenyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(3-fluorophenyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(3-fluorophenyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-1-(cyclohexylmethyl)-3-(3-fluorophenyl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C23H29FN2O3 MolecularWeight: 400.486363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2CCCCC2)CCC(=O)OC)C3=CC(=CC=C3)F)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2CCCCC2)CCC(=O)OC)C3=CC(=CC=C3)F)C(=O)N

InChI

InChI=1S/C23H29FN2O3/c1-15-21(23(25)28)22(17-9-6-10-18(24)13-17)19(11-12-20(27)29-2)26(15)14-16-7-4-3-5-8-16/h6,9-10,13,16H,3-5,7-8,11-12,14H2,1-2H3,(H2,25,28)