4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxidanylidene-pentan-2-yl]benzoic acid; tetradecan-1-amine

Systemtic Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxidanylidene-pentan-2-yl]benzoic acid; tetradecan-1-amine Openeye Name: 4-[3-(4-carboxyphenyl)-1,1,3-trimethyl-2-oxo-butyl]benzoic acid; tetradecan-1-amine CAS Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxopentan-2-yl]benzoic acid; 1-tetradecanamine IUPAC Name: 4-[4-(4-carboxyphenyl)-2,4-dimethyl-3-oxopentan-2-yl]benzoic acid; tetradecan-1-amine Traditional Name: 4-[3-(4-carboxyphenyl)-2-keto-1,1,3-trimethyl-butyl]benzoic acid; myristylamine Formula: C49H84N2O5 MolecularWeight: 781.20166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN.CCCCCCCCCCCCCCN.CC(C)(C1=CC=C(C=C1)C(=O)O)C(=O)C(C)(C)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCN.CCCCCCCCCCCCCCN.CC(C)(C1=CC=C(C=C1)C(=O)O)C(=O)C(C)(C)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H22O5.2C14H31N/c1-20(2,15-9-5-13(6-10-15)17(22)23)19(26)21(3,4)16-11-7-14(8-12-16)18(24)25;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-12H,1-4H3,(H,22,23)(H,24,25);2*2-15H2,1H3