methyl (2S)-2-[[cyclohexyl-(4-methylphenyl)methyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[cyclohexyl-(4-methylphenyl)methyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[cyclohexyl(p-tolyl)methyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[cyclohexyl-(4-methylphenyl)methyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[cyclohexyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[cyclohexyl(p-tolyl)methyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CCCCC2)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C2CCCCC2)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C20H31NO2/c1-14(2)18(20(22)23-4)21-19(16-8-6-5-7-9-16)17-12-10-15(3)11-13-17/h10-14,16,18-19,21H,5-9H2,1-4H3/t18-,19?/m0/s1