methyl (3S)-3-[(1S)-1-methyl-2-[(1R)-1-phenylethyl]imino-cyclohexyl]butanoate

Systemtic Name: methyl (3S)-3-[(1S)-1-methyl-2-[(1R)-1-phenylethyl]imino-cyclohexyl]butanoate Openeye Name: methyl (3S)-3-[(1S)-1-methyl-2-[(1R)-1-phenylethyl]imino-cyclohexyl]butanoate CAS Name: (3S)-3-[(1S)-1-methyl-2-[(1R)-1-phenylethyl]iminocyclohexyl]butanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(1S)-1-methyl-2-[(1R)-1-phenylethyl]iminocyclohexyl]butanoate Traditional Name: (3S)-3-[(1S)-1-methyl-2-[(1R)-1-phenylethyl]imino-cyclohexyl]butyric acid methyl ester Formula: C20H29NO2 MolecularWeight: 315.44976

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C1(CCCCC1=NC(C)C2=CC=CC=C2)C

Isomeric SMILES

C[C@@H](CC(=O)OC)[C@@]1(CCCCC1=N[C@H](C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H29NO2/c1-15(14-19(22)23-4)20(3)13-9-8-12-18(20)21-16(2)17-10-6-5-7-11-17/h5-7,10-11,15-16H,8-9,12-14H2,1-4H3/t15-,16+,20-/m0/s1