ethyl (3S,5S)-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]-5-phenylmethoxy-hexanoate

Systemtic Name: ethyl (3S,5S)-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]-5-phenylmethoxy-hexanoate Openeye Name: ethyl (3S,5S)-5-benzyloxy-3-[benzyl-[(1S)-1-phenylethyl]amino]hexanoate CAS Name: (3S,5S)-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]-5-phenylmethoxyhexanoic acid ethyl ester IUPAC Name: ethyl (3S,5S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenylmethoxyhexanoate Traditional Name: (3S,5S)-5-benzoxy-3-[benzyl-[(1S)-1-phenylethyl]amino]hexanoic acid ethyl ester Formula: C30H37NO3 MolecularWeight: 459.61968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(C)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C[C@H](C[C@H](C)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C30H37NO3/c1-4-33-30(32)21-29(20-24(2)34-23-27-16-10-6-11-17-27)31(22-26-14-8-5-9-15-26)25(3)28-18-12-7-13-19-28/h5-19,24-25,29H,4,20-23H2,1-3H3/t24-,25-,29-/m0/s1