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

Systemtic Name: methyl (2S)-2-[[(1R,2R)-1-cyclohexyl-2-methyl-but-3-enyl]amino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[(1R,2R)-1-cyclohexyl-2-methyl-but-3-enyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[(1R,2R)-1-cyclohexyl-2-methylbut-3-enyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[(1R,2R)-1-cyclohexyl-2-methylbut-3-enyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(1R,2R)-1-cyclohexyl-2-methyl-but-3-enyl]amino]-2-phenyl-acetic acid methyl ester Formula: C20H29NO2 MolecularWeight: 315.44976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO2/c1-4-15(2)18(16-11-7-5-8-12-16)21-19(20(22)23-3)17-13-9-6-10-14-17/h4,6,9-10,13-16,18-19,21H,1,5,7-8,11-12H2,2-3H3/t15-,18+,19+/m1/s1