methyl 3-[4-aminocarbonyl-5-methyl-1-(phenylmethyl)-3-pyridin-3-yl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-5-methyl-1-(phenylmethyl)-3-pyridin-3-yl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-benzyl-4-carbamoyl-5-methyl-3-(3-pyridyl)pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-5-methyl-1-(phenylmethyl)-3-(3-pyridinyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(1-benzyl-4-carbamoyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate Traditional Name: 3-[1-benzyl-4-carbamoyl-5-methyl-3-(3-pyridyl)pyrrol-2-yl]propionic acid methyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)CCC(=O)OC)C3=CN=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)CCC(=O)OC)C3=CN=CC=C3)C(=O)N

InChI

InChI=1S/C22H23N3O3/c1-15-20(22(23)27)21(17-9-6-12-24-13-17)18(10-11-19(26)28-2)25(15)14-16-7-4-3-5-8-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,23,27)