methyl (2S)-2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/c1-15(2)18-11-10-16(3)12-20(18)27-14-21(24)23-19(22(25)26-4)13-17-8-6-5-7-9-17/h5-12,15,19H,13-14H2,1-4H3,(H,23,24)/t19-/m0/s1