(2S)-2-[(4-chlorophenyl)methyl]-4-[(4-iodophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-[(4-chlorophenyl)methyl]-4-[(4-iodophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-[(4-chlorophenyl)methyl]-4-(4-iodoanilino)-4-oxo-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)methyl]-4-(4-iodoanilino)-4-oxobutanoate IUPAC Name: (2S)-2-[(4-chlorophenyl)methyl]-4-(4-iodoanilino)-4-oxobutanoate Traditional Name: (2S)-2-(4-chlorobenzyl)-4-(4-iodoanilino)-4-keto-butyrate Formula: C17H14ClINO3- MolecularWeight: 442.65543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(=O)NC2=CC=C(C=C2)I)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](CC(=O)NC2=CC=C(C=C2)I)C(=O)[O-])Cl

InChI

InChI=1S/C17H15ClINO3/c18-13-3-1-11(2-4-13)9-12(17(22)23)10-16(21)20-15-7-5-14(19)6-8-15/h1-8,12H,9-10H2,(H,20,21)(H,22,23)/p-1/t12-/m0/s1