[4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propylamino)prop-1-enyl]-2-methoxyphenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-[(E)-2-cyano-3-keto-3-(propylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCCC)OC

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCCC)OC

InChI

InChI=1S/C25H34N2O4/c1-4-6-7-18-8-11-20(12-9-18)25(29)31-22-13-10-19(16-23(22)30-3)15-21(17-26)24(28)27-14-5-2/h10,13,15-16,18,20H,4-9,11-12,14H2,1-3H3,(H,27,28)/b21-15+