5-[bis(prop-2-enyl)amino]-4-(tert-butylamino)-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: 5-[bis(prop-2-enyl)amino]-4-(tert-butylamino)-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: 4-(tert-butylamino)-5-(diallylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid CAS Name: 5-[bis(prop-2-enyl)amino]-4-(tert-butylamino)-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: 5-[bis(prop-2-enyl)amino]-4-(tert-butylamino)-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: 4-(tert-butylamino)-5-(diallylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid Formula: C22H38N2O3 MolecularWeight: 378.54872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(C)(C)C)N(CC=C)CC=C)C(=O)O

Isomeric SMILES

CCC(CC)OC1C=C(CC(C1NC(C)(C)C)N(CC=C)CC=C)C(=O)O

InChI

InChI=1S/C22H38N2O3/c1-8-12-24(13-9-2)18-14-16(21(25)26)15-19(27-17(10-3)11-4)20(18)23-22(5,6)7/h8-9,15,17-20,23H,1-2,10-14H2,3-7H3,(H,25,26)