[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CC(C)C2=CC=CC=C2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C[C@H](C)C2=CC=CC=C2)CC3=CC=CO3)C

InChI

InChI=1S/C24H25N3O4/c1-16(19-8-5-4-6-9-19)12-23(29)31-15-22(28)26-24-21(13-25)17(2)18(3)27(24)14-20-10-7-11-30-20/h4-11,16H,12,14-15H2,1-3H3,(H,26,28)/t16-/m0/s1