4-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 4-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[(E)-2-cyano-3-(cyclopentylamino)-3-keto-prop-1-enyl]-2-furyl]benzoic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4/c21-12-15(19(23)22-16-3-1-2-4-16)11-17-9-10-18(26-17)13-5-7-14(8-6-13)20(24)25/h5-11,16H,1-4H2,(H,22,23)(H,24,25)/b15-11+