(2R)-2-(cyclopropylazaniumyl)-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(cyclopropylazaniumyl)-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(cyclopropylammonio)-4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: (2R)-2-(cyclopropylammonio)-4-(4-ethoxyphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-(cyclopropylazaniumyl)-4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: (2R)-2-(cyclopropylammonio)-4-keto-4-p-phenetyl-butyrate Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]C2CC2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]C2CC2

InChI

InChI=1S/C15H19NO4/c1-2-20-12-7-3-10(4-8-12)14(17)9-13(15(18)19)16-11-5-6-11/h3-4,7-8,11,13,16H,2,5-6,9H2,1H3,(H,18,19)/t13-/m1/s1