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

Systemtic Name: methyl (2S)-2-[[(1R)-1-cyclohexyl-2,2-dimethyl-but-3-enyl]amino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[(1R)-1-cyclohexyl-2,2-dimethyl-but-3-enyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[(1R)-1-cyclohexyl-2,2-dimethylbut-3-enyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1R)-1-cyclohexyl-2,2-dimethylbut-3-enyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(1R)-1-cyclohexyl-2,2-dimethyl-but-3-enyl]amino]-2-phenyl-acetic acid methyl ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)C(C1CCCCC1)NC(C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C=C)[C@@H](C1CCCCC1)N[C@@H](C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H31NO2/c1-5-21(2,3)19(17-14-10-7-11-15-17)22-18(20(23)24-4)16-12-8-6-9-13-16/h5-6,8-9,12-13,17-19,22H,1,7,10-11,14-15H2,2-4H3/t18-,19+/m0/s1