[4-[(E)-2-cyano-3-(cycloheptylamino)-3-oxidanylidene-prop-1-enyl]phenyl] cyclohexanecarboxylate

Systemtic Name: [4-[(E)-2-cyano-3-(cycloheptylamino)-3-oxidanylidene-prop-1-enyl]phenyl] cyclohexanecarboxylate Openeye Name: [4-[(E)-2-cyano-3-(cycloheptylamino)-3-oxo-prop-1-enyl]phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-(cycloheptylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(cycloheptylamino)-3-oxoprop-1-enyl]phenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-(cycloheptylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3CCCCC3)C#N

Isomeric SMILES

C1CCCC(CC1)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3CCCCC3)/C#N

InChI

InChI=1S/C24H30N2O3/c25-17-20(23(27)26-21-10-6-1-2-7-11-21)16-18-12-14-22(15-13-18)29-24(28)19-8-4-3-5-9-19/h12-16,19,21H,1-11H2,(H,26,27)/b20-16+