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

Systemtic Name: 4-[(E)-2-(3-cyclopentylpropanoylamino)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(3-cyclopentylpropanoylamino)-3-hydroxy-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-hydroxy-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(3-cyclopentylpropanoylamino)-3-hydroxy-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(3-cyclopentylpropanoylamino)-3-hydroxy-3-keto-prop-1-enyl]benzoic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(=CC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N/C(=C/C2=CC=C(C=C2)C(=O)O)/C(=O)O

InChI

InChI=1S/C18H21NO5/c20-16(10-7-12-3-1-2-4-12)19-15(18(23)24)11-13-5-8-14(9-6-13)17(21)22/h5-6,8-9,11-12H,1-4,7,10H2,(H,19,20)(H,21,22)(H,23,24)/b15-11+