ethyl (2S,3R)-2-[methyl-(phenylmethyl)amino]-3-oxidanyl-octanoate

Systemtic Name: ethyl (2S,3R)-2-[methyl-(phenylmethyl)amino]-3-oxidanyl-octanoate Openeye Name: ethyl (2S,3R)-2-[benzyl(methyl)amino]-3-hydroxy-octanoate CAS Name: (2S,3R)-3-hydroxy-2-[methyl-(phenylmethyl)amino]octanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-[benzyl(methyl)amino]-3-hydroxyoctanoate Traditional Name: (2S,3R)-2-[benzyl(methyl)amino]-3-hydroxy-caprylic acid ethyl ester Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO3/c1-4-6-8-13-16(20)17(18(21)22-5-2)19(3)14-15-11-9-7-10-12-15/h7,9-12,16-17,20H,4-6,8,13-14H2,1-3H3/t16-,17+/m1/s1