propan-2-yl (3S)-3-[2-(3,5-dimethylphenoxy)ethanoylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: propan-2-yl (3S)-3-[2-(3,5-dimethylphenoxy)ethanoylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: isopropyl (3S)-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (3S)-3-[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (3S)-3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5/c1-15(2)29-23(26)13-21(18-6-8-19(27-5)9-7-18)24-22(25)14-28-20-11-16(3)10-17(4)12-20/h6-12,15,21H,13-14H2,1-5H3,(H,24,25)/t21-/m0/s1