methyl (3S)-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]-6-phenylmethoxy-hexanoate

Systemtic Name: methyl (3S)-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]-6-phenylmethoxy-hexanoate Openeye Name: methyl (3S)-6-benzyloxy-3-[benzyl-[(1S)-1-phenylethyl]amino]hexanoate CAS Name: (3S)-3-[[(1S)-1-phenylethyl]-(phenylmethyl)amino]-6-phenylmethoxyhexanoic acid methyl ester IUPAC Name: methyl (3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-6-phenylmethoxyhexanoate Traditional Name: (3S)-6-benzoxy-3-[benzyl-[(1S)-1-phenylethyl]amino]hexanoic acid methyl ester Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(CCCOCC3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)[C@@H](CCCOCC3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C29H35NO3/c1-24(27-17-10-5-11-18-27)30(22-25-13-6-3-7-14-25)28(21-29(31)32-2)19-12-20-33-23-26-15-8-4-9-16-26/h3-11,13-18,24,28H,12,19-23H2,1-2H3/t24-,28-/m0/s1