cyanomethyl (3S)-3-benzamido-3-(4-propan-2-yloxyphenyl)propanoate

Systemtic Name: cyanomethyl (3S)-3-benzamido-3-(4-propan-2-yloxyphenyl)propanoate Openeye Name: cyanomethyl (3S)-3-benzamido-3-(4-isopropoxyphenyl)propanoate CAS Name: (3S)-3-benzamido-3-(4-propan-2-yloxyphenyl)propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (3S)-3-benzamido-3-(4-propan-2-yloxyphenyl)propanoate Traditional Name: (3S)-3-benzamido-3-(4-isopropoxyphenyl)propionic acid cyanomethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)OCC#N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H](CC(=O)OCC#N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4/c1-15(2)27-18-10-8-16(9-11-18)19(14-20(24)26-13-12-22)23-21(25)17-6-4-3-5-7-17/h3-11,15,19H,13-14H2,1-2H3,(H,23,25)/t19-/m0/s1