N-cyclohexylcyclohexanamine; (2S)-2-(ethenoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-2-(ethenoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: N-cyclohexylcyclohexanamine; (2S)-3-(1H-indol-3-yl)-2-(vinyloxycarbonylamino)propanoic acid CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[[ethenoxy(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-(ethenoxycarbonylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: dicyclohexylamine; (2S)-3-(1H-indol-3-yl)-2-(vinyloxycarbonylamino)propionic acid Formula: C26H37N3O4 MolecularWeight: 455.58968

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Descriptors Computed from Structure

Canonical SMILES:

C=COC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

C=COC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C14H14N2O4.C12H23N/c1-2-20-14(19)16-12(13(17)18)7-9-8-15-11-6-4-3-5-10(9)11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-6,8,12,15H,1,7H2,(H,16,19)(H,17,18);11-13H,1-10H2/t12-;/m0./s1