8-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]octanoic acid

Systemtic Name: 8-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]octanoic acid Openeye Name: 8-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]octanoic acid CAS Name: 8-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]octanoic acid IUPAC Name: 8-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]octanoic acid Traditional Name: 8-[[(Z)-(6-ketocyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]caprylic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C=CC=CC2=O)NCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C(=C/2\C=CC=CC2=O)/NCCCCCCCC(=O)O

InChI

InChI=1S/C21H25NO3/c23-19-14-9-8-13-18(19)21(17-11-5-4-6-12-17)22-16-10-3-1-2-7-15-20(24)25/h4-6,8-9,11-14,22H,1-3,7,10,15-16H2,(H,24,25)/b21-18-