[(3S,4R)-4-(phenylmethoxycarbonylamino)undec-1-en-3-yl] ethanoate

Systemtic Name: [(3S,4R)-4-(phenylmethoxycarbonylamino)undec-1-en-3-yl] ethanoate Openeye Name: [(1S,2R)-2-(benzyloxycarbonylamino)-1-vinyl-nonyl] acetate CAS Name: acetic acid [(3S,4R)-4-(phenylmethoxycarbonylamino)undec-1-en-3-yl] ester IUPAC Name: [(3S,4R)-4-(phenylmethoxycarbonylamino)undec-1-en-3-yl] acetate Traditional Name: acetic acid [(1S)-1-[(1R)-1-(benzyloxycarbonylamino)octyl]allyl] ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C=C)OC(=O)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCC[C@H]([C@H](C=C)OC(=O)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H31NO4/c1-4-6-7-8-12-15-19(20(5-2)26-17(3)23)22-21(24)25-16-18-13-10-9-11-14-18/h5,9-11,13-14,19-20H,2,4,6-8,12,15-16H2,1,3H3,(H,22,24)/t19-,20+/m1/s1