(2R)-2-[[(2S)-2-ethylhexyl]azaniumyl]-4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[[(2S)-2-ethylhexyl]azaniumyl]-4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[[(2S)-2-ethylhexyl]ammonio]-4-(4-hydroxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-[[(2S)-2-ethylhexyl]ammonio]-4-(4-hydroxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[[(2S)-2-ethylhexyl]azaniumyl]-4-(4-hydroxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-[[(2S)-2-ethylhexyl]ammonio]-4-(4-hydroxyanilino)-4-keto-butyrate Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C(CC(=O)NC1=CC=C(C=C1)O)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)O)C(=O)[O-]

InChI

InChI=1S/C18H28N2O4/c1-3-5-6-13(4-2)12-19-16(18(23)24)11-17(22)20-14-7-9-15(21)10-8-14/h7-10,13,16,19,21H,3-6,11-12H2,1-2H3,(H,20,22)(H,23,24)/t13-,16+/m0/s1