N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxidanylidene-but-3-en-2-yl)amino]pentanedioic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxidanylidene-but-3-en-2-yl)amino]pentanedioic acid Openeye Name: N-cyclohexylcyclohexanamine; (2S)-2-(1-ethoxycarbonylallylamino)pentanedioic acid CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]pentanedioic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]pentanedioic acid Traditional Name: (2S)-2-(1-carbethoxyallylamino)glutaric acid; dicyclohexylamine Formula: C23H40N2O6 MolecularWeight: 440.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=C)NC(CCC(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C12H23N.C11H17NO6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7(11(17)18-4-2)12-8(10(15)16)5-6-9(13)14/h11-13H,1-10H2;3,7-8,12H,1,4-6H2,2H3,(H,13,14)(H,15,16)/t;7?,8-/m.0/s1