N,N-diethylethanamine; 4-phenyloxane-4-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 4-phenyloxane-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 4-phenyltetrahydropyran-4-carboxylic acid CAS Name: N,N-diethylethanamine; 4-phenyl-4-oxanecarboxylic acid IUPAC Name: N,N-diethylethanamine; 4-phenyloxane-4-carboxylic acid Traditional Name: 4-phenyltetrahydropyran-4-carboxylic acid; triethylamine Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1COCCC1(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCN(CC)CC.C1COCCC1(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H14O3.C6H15N/c13-11(14)12(6-8-15-9-7-12)10-4-2-1-3-5-10;1-4-7(5-2)6-3/h1-5H,6-9H2,(H,13,14);4-6H2,1-3H3