[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-2-propenoic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)acrylic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C=CC2=CC(=CC=C2)OC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)OC)C

InChI

InChI=1S/C21H25NO4/c1-5-11-22-15(2)12-19(16(22)3)20(23)14-26-21(24)10-9-17-7-6-8-18(13-17)25-4/h6-10,12-13H,5,11,14H2,1-4H3/b10-9+