methyl 3-[5-[(E)-3-(cycloheptylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]propanoate

Systemtic Name: methyl 3-[5-[(E)-3-(cycloheptylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]propanoate Openeye Name: methyl 3-[5-[(E)-3-(cycloheptylamino)-3-oxo-prop-1-enyl]-2-furyl]propanoate CAS Name: 3-[5-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-2-furanyl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]furan-2-yl]propanoate Traditional Name: 3-[5-[(E)-3-(cycloheptylamino)-3-keto-prop-1-enyl]-2-furyl]propionic acid methyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(O1)C=CC(=O)NC2CCCCCC2

Isomeric SMILES

COC(=O)CCC1=CC=C(O1)/C=C/C(=O)NC2CCCCCC2

InChI

InChI=1S/C18H25NO4/c1-22-18(21)13-11-16-9-8-15(23-16)10-12-17(20)19-14-6-4-2-3-5-7-14/h8-10,12,14H,2-7,11,13H2,1H3,(H,19,20)/b12-10+