hexyl (2S)-2-(2-methylpropoxycarbonylamino)-3-phenyl-propanoate

Systemtic Name: hexyl (2S)-2-(2-methylpropoxycarbonylamino)-3-phenyl-propanoate Openeye Name: hexyl (2S)-2-(isobutoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-methylpropoxy(oxo)methyl]amino]-3-phenylpropanoic acid hexyl ester IUPAC Name: hexyl (2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(isobutoxycarbonylamino)-3-phenyl-propionic acid hexyl ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)OCC(C)C

Isomeric SMILES

CCCCCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC(C)C

InChI

InChI=1S/C20H31NO4/c1-4-5-6-10-13-24-19(22)18(14-17-11-8-7-9-12-17)21-20(23)25-15-16(2)3/h7-9,11-12,16,18H,4-6,10,13-15H2,1-3H3,(H,21,23)/t18-/m0/s1