4-[(5R)-1-ethanoyl-5-(3-methoxy-4-pentoxy-phenyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[(5R)-1-ethanoyl-5-(3-methoxy-4-pentoxy-phenyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(5R)-1-acetyl-5-(3-methoxy-4-pentoxy-phenyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[(5R)-1-acetyl-5-(3-methoxy-4-pentoxyphenyl)-3-pyrazolidinylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(5R)-1-acetyl-5-(3-methoxy-4-pentoxyphenyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(5R)-1-acetyl-5-(4-amoxy-3-methoxy-phenyl)pyrazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2CC(=C3C=CC(=O)C=C3)NN2C(=O)C)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)[C@H]2CC(=C3C=CC(=O)C=C3)NN2C(=O)C)OC

InChI

InChI=1S/C23H28N2O4/c1-4-5-6-13-29-22-12-9-18(14-23(22)28-3)21-15-20(24-25(21)16(2)26)17-7-10-19(27)11-8-17/h7-12,14,21,24H,4-6,13,15H2,1-3H3/t21-/m1/s1