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

Systemtic Name: propan-2-yl (E,3R)-3-[[(1R)-1-phenylethyl]-prop-2-enyl-amino]hept-5-enoate Openeye Name: isopropyl (E,3R)-3-[allyl-[(1R)-1-phenylethyl]amino]hept-5-enoate CAS Name: (E,3R)-3-[[(1R)-1-phenylethyl]-prop-2-enylamino]-5-heptenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E,3R)-3-[[(1R)-1-phenylethyl]-prop-2-enylamino]hept-5-enoate Traditional Name: (E,3R)-3-[allyl-[(1R)-1-phenylethyl]amino]hept-5-enoic acid isopropyl ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO2/c1-6-8-14-20(16-21(23)24-17(3)4)22(15-7-2)18(5)19-12-10-9-11-13-19/h6-13,17-18,20H,2,14-16H2,1,3-5H3/b8-6+/t18-,20-/m1/s1