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

Systemtic Name: heptyl (2S)-2-(2-methylpropoxycarbonylamino)-3-phenyl-propanoate Openeye Name: heptyl (2S)-2-(isobutoxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-methylpropoxy(oxo)methyl]amino]-3-phenylpropanoic acid heptyl ester IUPAC Name: heptyl (2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(isobutoxycarbonylamino)-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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4/c1-4-5-6-7-11-14-25-20(23)19(15-18-12-9-8-10-13-18)22-21(24)26-16-17(2)3/h8-10,12-13,17,19H,4-7,11,14-16H2,1-3H3,(H,22,24)/t19-/m0/s1