2-(3-butoxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Systemtic Name: 2-(3-butoxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 2-(3-butoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 2-(3-butoxyphenyl)-4-hydroxy-1-[3-(1-imidazolyl)propyl]-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 2-(3-butoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(3-butoxyphenyl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4/c1-2-3-19-36-24-12-7-11-23(20-24)27-26(25(33)14-13-22-9-5-4-6-10-22)28(34)29(35)32(27)17-8-16-31-18-15-30-21-31/h4-7,9-15,18,20-21,27,34H,2-3,8,16-17,19H2,1H3/b14-13+