[(3S,5R)-5-phenylmethoxy-6-(prop-2-enylamino)hex-1-en-3-yl] benzoate

Systemtic Name: [(3S,5R)-5-phenylmethoxy-6-(prop-2-enylamino)hex-1-en-3-yl] benzoate Openeye Name: [(1S,3R)-4-(allylamino)-3-benzyloxy-1-vinyl-butyl] benzoate CAS Name: benzoic acid [(3S,5R)-5-phenylmethoxy-6-(prop-2-enylamino)hex-1-en-3-yl] ester IUPAC Name: [(3S,5R)-5-phenylmethoxy-6-(prop-2-enylamino)hex-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(2R)-3-(allylamino)-2-benzoxy-propyl]allyl] ester Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC(CC(C=C)OC(=O)C1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

C=CCNC[C@@H](C[C@@H](C=C)OC(=O)C1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C23H27NO3/c1-3-15-24-17-22(26-18-19-11-7-5-8-12-19)16-21(4-2)27-23(25)20-13-9-6-10-14-20/h3-14,21-22,24H,1-2,15-18H2/t21-,22-/m1/s1