methyl 3-[4-aminocarbonyl-5-methyl-1-phenethyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-5-methyl-1-phenethyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-5-methyl-1-phenethyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-5-methyl-1-phenethyl-3-[4-(1-pyrrolidinyl)phenyl]-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-5-methyl-1-phenethyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-1-phenethyl-3-(4-pyrrolidinophenyl)pyrrol-2-yl]propionic acid methyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)N4CCCC4)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)N4CCCC4)C(=O)N

InChI

InChI=1S/C28H33N3O3/c1-20-26(28(29)33)27(22-10-12-23(13-11-22)30-17-6-7-18-30)24(14-15-25(32)34-2)31(20)19-16-21-8-4-3-5-9-21/h3-5,8-13H,6-7,14-19H2,1-2H3,(H2,29,33)