N,N-diethyl-3-methyl-butan-1-amine; 4-ethoxybenzoic acid

Systemtic Name: N,N-diethyl-3-methyl-butan-1-amine; 4-ethoxybenzoic acid Openeye Name: N,N-diethyl-3-methyl-butan-1-amine; 4-ethoxybenzoic acid CAS Name: N,N-diethyl-3-methyl-1-butanamine; 4-ethoxybenzoic acid IUPAC Name: N,N-diethyl-3-methylbutan-1-amine; 4-ethoxybenzoic acid Traditional Name: diethyl(isoamyl)amine; 4-ethoxybenzoic acid Formula: C18H31NO3 MolecularWeight: 309.44364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C)C.CCOC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCN(CC)CCC(C)C.CCOC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H21N.C9H10O3/c1-5-10(6-2)8-7-9(3)4;1-2-12-8-5-3-7(4-6-8)9(10)11/h9H,5-8H2,1-4H3;3-6H,2H2,1H3,(H,10,11)