(2R)-2-[(4-chlorophenyl)methylazaniumyl]-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[(4-chlorophenyl)methylazaniumyl]-4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[(4-chlorophenyl)methylammonio]-4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: (2R)-2-[(4-chlorophenyl)methylammonio]-4-(4-ethoxyphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-[(4-chlorophenyl)methylazaniumyl]-4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: (2R)-2-[(4-chlorobenzyl)ammonio]-4-keto-4-p-phenetyl-butyrate Formula: C19H20ClNO4 MolecularWeight: 361.8194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO4/c1-2-25-16-9-5-14(6-10-16)18(22)11-17(19(23)24)21-12-13-3-7-15(20)8-4-13/h3-10,17,21H,2,11-12H2,1H3,(H,23,24)/t17-/m1/s1