ethyl (3S)-2-deuterio-3-[[(1R)-1-phenylethyl]amino]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: ethyl (3S)-2-deuterio-3-[[(1R)-1-phenylethyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: ethyl (3S)-3-(4-benzyloxyphenyl)-2-deuterio-3-[[(1R)-1-phenylethyl]amino]propanoate CAS Name: (3S)-2-deuterio-3-[[(1R)-1-phenylethyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-2-deuterio-3-[[(1R)-1-phenylethyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (3S)-3-(4-benzoxyphenyl)-2-deuterio-3-[[(1R)-1-phenylethyl]amino]propionic acid ethyl ester Formula: C26H29NO3 MolecularWeight: 404.519522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)NC(C)C3=CC=CC=C3

Isomeric SMILES

[2H]C([C@@H](C1=CC=C(C=C1)OCC2=CC=CC=C2)N[C@H](C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H29NO3/c1-3-29-26(28)18-25(27-20(2)22-12-8-5-9-13-22)23-14-16-24(17-15-23)30-19-21-10-6-4-7-11-21/h4-17,20,25,27H,3,18-19H2,1-2H3/t20-,25+/m1/s1/i18D/t18?,20-,25+