N-cyclohexylcyclohexanamine; (2S)-2-ethoxy-3-[4-[(2R)-1-[2-(4-ethylphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-2-ethoxy-3-[4-[(2R)-1-[2-(4-ethylphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid Openeye Name: N-cyclohexylcyclohexanamine; (2S)-2-ethoxy-3-[4-[(1R)-2-[2-(4-ethylphenyl)ethylamino]-1-methyl-2-oxo-ethoxy]phenyl]propanoic acid CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-ethoxy-3-[4-[(2R)-1-[2-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]oxyphenyl]propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-ethoxy-3-[4-[(2R)-1-[2-(4-ethylphenyl)ethylamino]-1-oxopropan-2-yl]oxyphenyl]propanoic acid Traditional Name: dicyclohexylamine; (2S)-2-ethoxy-3-[4-[(1R)-2-[2-(4-ethylphenyl)ethylamino]-2-keto-1-methyl-ethoxy]phenyl]propionic acid Formula: C36H54N2O5 MolecularWeight: 594.82436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCNC(=O)C(C)OC2=CC=C(C=C2)CC(C(=O)O)OCC.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)CCNC(=O)[C@@H](C)OC2=CC=C(C=C2)C[C@@H](C(=O)O)OCC.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C24H31NO5.C12H23N/c1-4-18-6-8-19(9-7-18)14-15-25-23(26)17(3)30-21-12-10-20(11-13-21)16-22(24(27)28)29-5-2;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h6-13,17,22H,4-5,14-16H2,1-3H3,(H,25,26)(H,27,28);11-13H,1-10H2/t17-,22+;/m1./s1