methyl (2S,3S)-3-ethyl-3-[(4-methoxyphenyl)methylamino]-2-phenylmethoxy-octanoate

Systemtic Name: methyl (2S,3S)-3-ethyl-3-[(4-methoxyphenyl)methylamino]-2-phenylmethoxy-octanoate Openeye Name: methyl (2S,3S)-2-benzyloxy-3-ethyl-3-[(4-methoxyphenyl)methylamino]octanoate CAS Name: (2S,3S)-3-ethyl-3-[(4-methoxyphenyl)methylamino]-2-phenylmethoxyoctanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-ethyl-3-[(4-methoxyphenyl)methylamino]-2-phenylmethoxyoctanoate Traditional Name: (2S,3S)-2-benzoxy-3-ethyl-3-(p-anisylamino)caprylic acid methyl ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)(C(C(=O)OC)OCC1=CC=CC=C1)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC[C@@](CC)([C@@H](C(=O)OC)OCC1=CC=CC=C1)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C26H37NO4/c1-5-7-11-18-26(6-2,27-19-21-14-16-23(29-3)17-15-21)24(25(28)30-4)31-20-22-12-9-8-10-13-22/h8-10,12-17,24,27H,5-7,11,18-20H2,1-4H3/t24-,26+/m1/s1