N,N-diethylethanamine; 7-methyl-3-(4-methyl-2-oxidanyl-phenyl)oct-6-enoic acid

Systemtic Name: N,N-diethylethanamine; 7-methyl-3-(4-methyl-2-oxidanyl-phenyl)oct-6-enoic acid Openeye Name: N,N-diethylethanamine; 3-(2-hydroxy-4-methyl-phenyl)-7-methyl-oct-6-enoic acid CAS Name: N,N-diethylethanamine; 3-(2-hydroxy-4-methylphenyl)-7-methyl-6-octenoic acid IUPAC Name: N,N-diethylethanamine; 3-(2-hydroxy-4-methylphenyl)-7-methyloct-6-enoic acid Traditional Name: 3-(2-hydroxy-4-methyl-phenyl)-7-methyl-oct-6-enoic acid; triethylamine Formula: C22H37NO3 MolecularWeight: 363.53408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=CC(=C(C=C1)C(CCC=C(C)C)CC(=O)O)O

Isomeric SMILES

CCN(CC)CC.CC1=CC(=C(C=C1)C(CCC=C(C)C)CC(=O)O)O

InChI

InChI=1S/C16H22O3.C6H15N/c1-11(2)5-4-6-13(10-16(18)19)14-8-7-12(3)9-15(14)17;1-4-7(5-2)6-3/h5,7-9,13,17H,4,6,10H2,1-3H3,(H,18,19);4-6H2,1-3H3