[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-keto-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C(C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=C(C=C2)OC)C)C(=O)COC(=O)C(C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H30N2O5/c1-18-16-24(20(3)29(18)15-14-21-10-12-23(33-4)13-11-21)25(30)17-34-27(32)19(2)28-26(31)22-8-6-5-7-9-22/h5-13,16,19H,14-15,17H2,1-4H3,(H,28,31)