(2R)-4-[(4-butylphenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(4-butylphenyl)amino]-2-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-butylanilino)-2-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-butylanilino)-2-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-butylanilino)-2-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-butylanilino)-2-(2-furfurylammonio)-4-keto-butyrate Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C19H24N2O4/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/h4,6-11,17,20H,2-3,5,12-13H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1