N-cyclohexylcyclohexanamine; (2S)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(allyloxycarbonylamino)-3-phenyl-propanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[[oxo(prop-2-enoxy)methyl]amino]-3-phenylpropanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(allyloxycarbonylamino)-3-phenyl-propionic acid; dicyclohexylamine Formula: C25H38N2O4 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

C=CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C13H15NO4.C12H23N/c1-2-8-18-13(17)14-11(12(15)16)9-10-6-4-3-5-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-7,11H,1,8-9H2,(H,14,17)(H,15,16);11-13H,1-10H2/t11-;/m0./s1