[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)C2=CC=CC=C2)C)C(=O)COC(=O)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C25H26N2O4/c1-16-13-23(18(3)27(16)17(2)20-9-6-5-7-10-20)24(29)15-31-25(30)21-11-8-12-22(14-21)26-19(4)28/h5-14,17H,15H2,1-4H3,(H,26,28)/t17-/m1/s1