2-chloranyl-5-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-5-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-chloro-5-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-5-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-5-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-keto-prop-1-enyl]-2-furyl]benzoic acid Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C#N

Isomeric SMILES

C1CCC(C1)NC(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)/C#N

InChI

InChI=1S/C20H17ClN2O4/c21-17-7-5-12(10-16(17)20(25)26)18-8-6-15(27-18)9-13(11-22)19(24)23-14-3-1-2-4-14/h5-10,14H,1-4H2,(H,23,24)(H,25,26)/b13-9+