N-cyclohexylcyclohexanamine; 2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: N-cyclohexylcyclohexanamine; 2-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: N-cyclohexylcyclohexanamine; 2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-4-(methylthio)butanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; 2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-4-methylsulfanylbutanoic acid Traditional Name: dicyclohexylamine; 2-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]amino]-4-(methylthio)butyric acid Formula: C23H42N2O4S MolecularWeight: 442.65558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(CCSC)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C12H23N.C11H19NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4-16-10(13)7-8(2)12-9(11(14)15)5-6-17-3/h11-13H,1-10H2;7,9,12H,4-6H2,1-3H3,(H,14,15)/b;8-7+