4-[[[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[(E)-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[(E)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]cyclohexanecarboxylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCC2CCC(CC2)C(=O)O)C=CC1=O

Isomeric SMILES

COC1=C/C(=C/NCC2CCC(CC2)C(=O)O)/C=CC1=O

InChI

InChI=1S/C16H21NO4/c1-21-15-8-12(4-7-14(15)18)10-17-9-11-2-5-13(6-3-11)16(19)20/h4,7-8,10-11,13,17H,2-3,5-6,9H2,1H3,(H,19,20)/b12-10+