methyl (3S)-3-(3-cyclohexylpropanoylamino)-3-(4-methylphenyl)propanoate

Systemtic Name: methyl (3S)-3-(3-cyclohexylpropanoylamino)-3-(4-methylphenyl)propanoate Openeye Name: methyl (3S)-3-(3-cyclohexylpropanoylamino)-3-(p-tolyl)propanoate CAS Name: (3S)-3-[(3-cyclohexyl-1-oxopropyl)amino]-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(3-cyclohexylpropanoylamino)-3-(4-methylphenyl)propanoate Traditional Name: (3S)-3-(3-cyclohexylpropanoylamino)-3-(p-tolyl)propionic acid methyl ester Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)CCC2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)OC)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C20H29NO3/c1-15-8-11-17(12-9-15)18(14-20(23)24-2)21-19(22)13-10-16-6-4-3-5-7-16/h8-9,11-12,16,18H,3-7,10,13-14H2,1-2H3,(H,21,22)/t18-/m0/s1