(2S)-4-[(3-chloranyl-4-methoxy-phenyl)amino]-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-[(3-chloranyl-4-methoxy-phenyl)amino]-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(3-chloro-4-methoxy-anilino)-2-(2-furylmethylamino)-4-oxo-butanoic acid CAS Name: (2S)-4-(3-chloro-4-methoxyanilino)-2-(2-furanylmethylamino)-4-oxobutanoic acid IUPAC Name: (2S)-4-(3-chloro-4-methoxyanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid Traditional Name: (2S)-4-(3-chloro-4-methoxy-anilino)-2-(2-furfurylamino)-4-keto-butyric acid Formula: C16H17ClN2O5 MolecularWeight: 352.76958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CC=CO2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[C@@H](C(=O)O)NCC2=CC=CO2)Cl

InChI

InChI=1S/C16H17ClN2O5/c1-23-14-5-4-10(7-12(14)17)19-15(20)8-13(16(21)22)18-9-11-3-2-6-24-11/h2-7,13,18H,8-9H2,1H3,(H,19,20)(H,21,22)/t13-/m0/s1