heptyl (2S)-2-(butoxycarbonylamino)-3-phenyl-propanoate

Systemtic Name: heptyl (2S)-2-(butoxycarbonylamino)-3-phenyl-propanoate Openeye Name: heptyl (2S)-2-(butoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[butoxy(oxo)methyl]amino]-3-phenylpropanoic acid heptyl ester IUPAC Name: heptyl (2S)-2-(butoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(butoxycarbonylamino)-3-phenyl-propionic acid heptyl ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)OCCCC

Isomeric SMILES

CCCCCCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCCCC

InChI

InChI=1S/C21H33NO4/c1-3-5-7-8-12-16-25-20(23)19(17-18-13-10-9-11-14-18)22-21(24)26-15-6-4-2/h9-11,13-14,19H,3-8,12,15-17H2,1-2H3,(H,22,24)/t19-/m0/s1