methyl 2-[[(E)-3,7-dimethyl-7-oxidanyl-oct-1-enyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-3,7-dimethyl-7-oxidanyl-oct-1-enyl]amino]benzoate Openeye Name: methyl 2-[[(E)-7-hydroxy-3,7-dimethyl-oct-1-enyl]amino]benzoate CAS Name: 2-[[(E)-7-hydroxy-3,7-dimethyloct-1-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-7-hydroxy-3,7-dimethyloct-1-enyl]amino]benzoate Traditional Name: 2-[[(E)-7-hydroxy-3,7-dimethyl-oct-1-enyl]amino]benzoic acid methyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)C=CNC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CC(CCCC(C)(C)O)/C=C/NC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C18H27NO3/c1-14(8-7-12-18(2,3)21)11-13-19-16-10-6-5-9-15(16)17(20)22-4/h5-6,9-11,13-14,19,21H,7-8,12H2,1-4H3/b13-11+