ethyl (E,2R,3R)-2-[methyl-(phenylmethyl)amino]-3-oxidanyl-oct-4-enoate

Systemtic Name: ethyl (E,2R,3R)-2-[methyl-(phenylmethyl)amino]-3-oxidanyl-oct-4-enoate Openeye Name: ethyl (E,2R,3R)-2-[benzyl(methyl)amino]-3-hydroxy-oct-4-enoate CAS Name: (E,2R,3R)-3-hydroxy-2-[methyl-(phenylmethyl)amino]-4-octenoic acid ethyl ester IUPAC Name: ethyl (E,2R,3R)-2-[benzyl(methyl)amino]-3-hydroxyoct-4-enoate Traditional Name: (E,2R,3R)-2-[benzyl(methyl)amino]-3-hydroxy-oct-4-enoic acid ethyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC(C(C(=O)OCC)N(C)CC1=CC=CC=C1)O

Isomeric SMILES

CCC/C=C/[C@H]([C@H](C(=O)OCC)N(C)CC1=CC=CC=C1)O

InChI

InChI=1S/C18H27NO3/c1-4-6-8-13-16(20)17(18(21)22-5-2)19(3)14-15-11-9-7-10-12-15/h7-13,16-17,20H,4-6,14H2,1-3H3/b13-8+/t16-,17-/m1/s1