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

Systemtic Name: methyl 3-[4-aminocarbonyl-5-methyl-1-(phenylmethyl)-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-benzyl-4-carbamoyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-5-methyl-1-(phenylmethyl)-3-[4-(1-pyrrolidinyl)phenyl]-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-benzyl-4-carbamoyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-benzyl-4-carbamoyl-5-methyl-3-(4-pyrrolidinophenyl)pyrrol-2-yl]propionic acid methyl ester Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)N4CCCC4)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)N4CCCC4)C(=O)N

InChI

InChI=1S/C27H31N3O3/c1-19-25(27(28)32)26(21-10-12-22(13-11-21)29-16-6-7-17-29)23(14-15-24(31)33-2)30(19)18-20-8-4-3-5-9-20/h3-5,8-13H,6-7,14-18H2,1-2H3,(H2,28,32)