(2R)-4-[(4-butylphenyl)amino]-4-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate

Systemtic Name: (2R)-4-[(4-butylphenyl)amino]-4-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Openeye Name: (2R)-4-(4-butylanilino)-4-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylammonio]butanoate CAS Name: (2R)-4-(4-butylanilino)-4-oxo-2-[[(2R)-2-oxolanyl]methylammonio]butanoate IUPAC Name: (2R)-4-(4-butylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Traditional Name: (2R)-4-(4-butylanilino)-4-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylammonio]butyrate Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2CCCO2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]C[C@H]2CCCO2

InChI

InChI=1S/C19H28N2O4/c1-2-3-5-14-7-9-15(10-8-14)21-18(22)12-17(19(23)24)20-13-16-6-4-11-25-16/h7-10,16-17,20H,2-6,11-13H2,1H3,(H,21,22)(H,23,24)/t16-,17-/m1/s1