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

Systemtic Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)CCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)CCC3=CC=CC=C3)C)C

InChI

InChI=1S/C25H27NO3/c1-17-10-12-22(14-18(17)2)26-19(3)15-23(20(26)4)24(27)16-29-25(28)13-11-21-8-6-5-7-9-21/h5-10,12,14-15H,11,13,16H2,1-4H3