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

Systemtic Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C25H27NO4/c1-4-29-22-13-11-21(12-14-22)26-18(2)16-23(19(26)3)24(27)17-30-25(28)15-10-20-8-6-5-7-9-20/h5-9,11-14,16H,4,10,15,17H2,1-3H3