tert-butyl (3S)-3-[3-chloranyl-5-(methoxymethoxy)-4-phenylmethoxy-phenyl]-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]propanoate

Systemtic Name: tert-butyl (3S)-3-[3-chloranyl-5-(methoxymethoxy)-4-phenylmethoxy-phenyl]-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]propanoate Openeye Name: tert-butyl (3S)-3-[4-benzyloxy-3-chloro-5-(methoxymethoxy)phenyl]-3-[benzyl-[(1R)-1-phenylethyl]amino]propanoate CAS Name: (3S)-3-[3-chloro-5-(methoxymethoxy)-4-phenylmethoxyphenyl]-3-[[(1R)-1-phenylethyl]-(phenylmethyl)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-[3-chloro-5-(methoxymethoxy)-4-phenylmethoxyphenyl]propanoate Traditional Name: (3S)-3-[4-benzoxy-3-chloro-5-(methoxymethoxy)phenyl]-3-[benzyl-[(1R)-1-phenylethyl]amino]propionic acid tert-butyl ester Formula: C37H42ClNO5 MolecularWeight: 616.18608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(CC(=O)OC(C)(C)C)C3=CC(=C(C(=C3)Cl)OCC4=CC=CC=C4)OCOC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)[C@@H](CC(=O)OC(C)(C)C)C3=CC(=C(C(=C3)Cl)OCC4=CC=CC=C4)OCOC

InChI

InChI=1S/C37H42ClNO5/c1-27(30-19-13-8-14-20-30)39(24-28-15-9-6-10-16-28)33(23-35(40)44-37(2,3)4)31-21-32(38)36(34(22-31)43-26-41-5)42-25-29-17-11-7-12-18-29/h6-22,27,33H,23-26H2,1-5H3/t27-,33+/m1/s1