propan-2-yl (E,3R)-3-[[(1R)-1-phenylethyl]amino]hept-5-enoate

Systemtic Name: propan-2-yl (E,3R)-3-[[(1R)-1-phenylethyl]amino]hept-5-enoate Openeye Name: isopropyl (E,3R)-3-[[(1R)-1-phenylethyl]amino]hept-5-enoate CAS Name: (E,3R)-3-[[(1R)-1-phenylethyl]amino]-5-heptenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E,3R)-3-[[(1R)-1-phenylethyl]amino]hept-5-enoate Traditional Name: (E,3R)-3-[[(1R)-1-phenylethyl]amino]hept-5-enoic acid isopropyl ester Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(CC(=O)OC(C)C)NC(C)C1=CC=CC=C1

Isomeric SMILES

C/C=C/C[C@H](CC(=O)OC(C)C)N[C@H](C)C1=CC=CC=C1

InChI

InChI=1S/C18H27NO2/c1-5-6-12-17(13-18(20)21-14(2)3)19-15(4)16-10-8-7-9-11-16/h5-11,14-15,17,19H,12-13H2,1-4H3/b6-5+/t15-,17-/m1/s1