4-[4-[(E)-2-(3-cyclopentylpropanoylamino)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]-3-methoxy-benzoic acid

Systemtic Name: 4-[4-[(E)-2-(3-cyclopentylpropanoylamino)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenoxy]-3-methoxy-benzoic acid Openeye Name: 4-[4-[(E)-2-(3-cyclopentylpropanoylamino)-3-hydroxy-3-oxo-prop-1-enyl]phenoxy]-3-methoxy-benzoic acid CAS Name: 4-[4-[(E)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-hydroxy-3-oxoprop-1-enyl]phenoxy]-3-methoxybenzoic acid IUPAC Name: 4-[4-[(E)-2-(3-cyclopentylpropanoylamino)-3-hydroxy-3-oxoprop-1-enyl]phenoxy]-3-methoxybenzoic acid Traditional Name: 4-[4-[(E)-2-(3-cyclopentylpropanoylamino)-3-hydroxy-3-keto-prop-1-enyl]phenoxy]-3-methoxy-benzoic acid Formula: C25H27NO7 MolecularWeight: 453.48438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)C=C(C(=O)O)NC(=O)CCC3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)/C=C(\C(=O)O)/NC(=O)CCC3CCCC3

InChI

InChI=1S/C25H27NO7/c1-32-22-15-18(24(28)29)9-12-21(22)33-19-10-6-17(7-11-19)14-20(25(30)31)26-23(27)13-8-16-4-2-3-5-16/h6-7,9-12,14-16H,2-5,8,13H2,1H3,(H,26,27)(H,28,29)(H,30,31)/b20-14+