[4-[(Z)-(5-azanyl-2-cyano-cyclohexa-2,4-dien-1-ylidene)methyl]phenyl] octanoate

Systemtic Name: [4-[(Z)-(5-azanyl-2-cyano-cyclohexa-2,4-dien-1-ylidene)methyl]phenyl] octanoate Openeye Name: [4-[(Z)-(5-amino-2-cyano-cyclohexa-2,4-dien-1-ylidene)methyl]phenyl] octanoate CAS Name: octanoic acid [4-[(Z)-(5-amino-2-cyano-1-cyclohexa-2,4-dienylidene)methyl]phenyl] ester IUPAC Name: [4-[(Z)-(5-amino-2-cyanocyclohexa-2,4-dien-1-ylidene)methyl]phenyl] octanoate Traditional Name: caprylic acid [4-[(Z)-(5-amino-2-cyano-cyclohexa-2,4-dien-1-ylidene)methyl]phenyl] ester Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C=C2CC(=CC=C2C#N)N

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)/C=C\2/CC(=CC=C2C#N)N

InChI

InChI=1S/C22H26N2O2/c1-2-3-4-5-6-7-22(25)26-21-12-8-17(9-13-21)14-19-15-20(24)11-10-18(19)16-23/h8-14H,2-7,15,24H2,1H3/b19-14-