methyl (2S)-2-[[(2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-(4-chloro-2-methyl-phenoxy)propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2R)-2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2R)-2-(4-chloro-2-methyl-phenoxy)propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H22ClNO4/c1-13-11-16(21)9-10-18(13)26-14(2)19(23)22-17(20(24)25-3)12-15-7-5-4-6-8-15/h4-11,14,17H,12H2,1-3H3,(H,22,23)/t14-,17+/m1/s1