2-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 2-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 2-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 2-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 2-[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 2-[(Z)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]benzoic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CC=CC=C2C(=O)O)C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C\C2=CC=CC=C2C(=O)O)/C#N

InChI

InChI=1S/C17H18N2O3/c18-11-13(16(20)19-14-7-2-1-3-8-14)10-12-6-4-5-9-15(12)17(21)22/h4-6,9-10,14H,1-3,7-8H2,(H,19,20)(H,21,22)/b13-10-