methyl (2S)-2-[[(1R,2S)-1-cyclohexyl-2-phenyl-but-3-enyl]amino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[(1R,2S)-1-cyclohexyl-2-phenyl-but-3-enyl]amino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[(1R,2S)-1-cyclohexyl-2-phenyl-but-3-enyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[(1R,2S)-1-cyclohexyl-2-phenylbut-3-enyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1R,2S)-1-cyclohexyl-2-phenylbut-3-enyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(1R,2S)-1-cyclohexyl-2-phenyl-but-3-enyl]amino]-2-phenyl-acetic acid methyl ester Formula: C25H31NO2 MolecularWeight: 377.51914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(C2CCCCC2)C(C=C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)N[C@H](C2CCCCC2)[C@@H](C=C)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO2/c1-3-22(19-13-7-4-8-14-19)23(20-15-9-5-10-16-20)26-24(25(27)28-2)21-17-11-6-12-18-21/h3-4,6-8,11-14,17-18,20,22-24,26H,1,5,9-10,15-16H2,2H3/t22-,23+,24-/m0/s1