methyl (2S)-2-(cyclohexylmethylamino)-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-(cyclohexylmethylamino)-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: methyl (2S)-3-(4-benzyloxyphenyl)-2-(cyclohexylmethylamino)propanoate CAS Name: (2S)-2-(cyclohexylmethylamino)-3-(4-phenylmethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(cyclohexylmethylamino)-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-(cyclohexylmethylamino)propionic acid methyl ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NCC3CCCCC3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)NCC3CCCCC3

InChI

InChI=1S/C24H31NO3/c1-27-24(26)23(25-17-20-8-4-2-5-9-20)16-19-12-14-22(15-13-19)28-18-21-10-6-3-7-11-21/h3,6-7,10-15,20,23,25H,2,4-5,8-9,16-18H2,1H3/t23-/m0/s1