5-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]indol-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]indol-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-1-indolyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]indol-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[3-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]indol-1-yl]methyl]-2-furoic acid Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(O4)C(=O)O)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC4=CC=C(O4)C(=O)O)/C#N

InChI

InChI=1S/C24H23N3O4/c25-13-16(23(28)26-18-6-2-1-3-7-18)12-17-14-27(21-9-5-4-8-20(17)21)15-19-10-11-22(31-19)24(29)30/h4-5,8-12,14,18H,1-3,6-7,15H2,(H,26,28)(H,29,30)/b16-12+