methyl (3S,4S)-3-[2-(3-chloranyl-4-methoxy-phenyl)ethanoylamino]-4-oxidanyl-4-phenyl-butanoate

Systemtic Name: methyl (3S,4S)-3-[2-(3-chloranyl-4-methoxy-phenyl)ethanoylamino]-4-oxidanyl-4-phenyl-butanoate Openeye Name: methyl (3S,4S)-3-[[2-(3-chloro-4-methoxy-phenyl)acetyl]amino]-4-hydroxy-4-phenyl-butanoate CAS Name: (3S,4S)-3-[[2-(3-chloro-4-methoxyphenyl)-1-oxoethyl]amino]-4-hydroxy-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (3S,4S)-3-[[2-(3-chloro-4-methoxyphenyl)acetyl]amino]-4-hydroxy-4-phenylbutanoate Traditional Name: (3S,4S)-3-[[2-(3-chloro-4-methoxy-phenyl)acetyl]amino]-4-hydroxy-4-phenyl-butyric acid methyl ester Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC(CC(=O)OC)C(C2=CC=CC=C2)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N[C@@H](CC(=O)OC)[C@H](C2=CC=CC=C2)O)Cl

InChI

InChI=1S/C20H22ClNO5/c1-26-17-9-8-13(10-15(17)21)11-18(23)22-16(12-19(24)27-2)20(25)14-6-4-3-5-7-14/h3-10,16,20,25H,11-12H2,1-2H3,(H,22,23)/t16-,20-/m0/s1